332382 <common-name>N,7,7-trimethyl-9-(1-phenylpropan-2-ylimino)-6,8-dihydro-5h-pyrimido[4,5-b][1,4]benzothiazin-4-amine</common-name> <description>N,7,7-trimethyl-9-(1-phenylpropan-2-ylimino)-6,8-dihydro-5h-pyrimido[4,5-b][1,4]benzothiazin-4-amine is a chemical compound with the formula C22H27N5S. It has an average molecular weight of 393.60 g/mol.</description> <cas nil="true"/> <pubchem-id>135463970</pubchem-id> <chemical-formula>C22H27N5S</chemical-formula> <weight>393.6</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T13:33:29Z</created-at> <updated-at type="dateTime">2026-08-30T13:33:29Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(CC1=CC=CC=C1)N=C2CC(CC3=C2SC4=NC=NC(=C4N3)NC)(C)C</moldb-smiles> <moldb-formula>C22H27N5S</moldb-formula> <moldb-inchi>InChI=1S/C22H27N5S/c1-14(10-15-8-6-5-7-9-15)26-16-11-22(2,3)12-17-19(16)28-21-18(27-17)20(23-4)24-13-25-21/h5-9,13-14,27H,10-12H2,1-4H3,(H,23,24,25)</moldb-inchi> <moldb-inchikey>NMZDCTSOGDMVCV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">393.1987171</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM328275</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>N,7,7-trimethyl-9-(1-phenylpropan-2-ylimino)-6,8-dihydro-5h-pyrimido[4,5-b][1,4]benzothiazin-4-amine</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenethylamines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0282900</sync-id> <structure-inchikey>NMZDCTSOGDMVCV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000018000000000000000002001000000000000000080000040000010004000004000000000000020040000001008020000000000004000400000000000000000001080400000000002000001100000000800040008000000000000000010000000000040000000000000000200080000000000000000000000000000482000008000002000100200800000010001000000000000000000a0000004000000000000000100080000000000020000080000000100200000000000000000000000000000000000000000000000000800000000000220000000000000200000000000000040000000000000000000000000000000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAHwAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEHACgAAAADAwYAKAAAAAMEBgBgAAAAAgIGACAA AAAEBgBgAAAAAgIGACgAAAADBAYAKAAAAAMEEAAgAAAAAgZAKAAAAAMEB0Ao AAAAAwMGQGgAAAADAwEHQCgAAAADAwZAKAAAAAMEBkAoAAAAAwQHAGgAAAAD AgEHAGgAAAADAgEGAGAAAAABAwYAYAAAAAEDBgBgAAAAAQMLAAEAAQIAAgMA AwRoDAQFaAwFBmgMBgdoDAcIaAwBCQAJCigCCgsACwwADA0ADQ4ADg8oAg8Q ABARABESaAwSE2gMExRoDBQVaAwVFmgMFhcgFRggGBkADBoADBsACANoDA8K IBcOIBYRaAxCBAAAAAYEBQYHCAMGCwwNDg8KBhARFhcODwYSExQVFhEXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:39Z</structure-indexed-at> </compound>