332383 <common-name>4-n-benzyl-7,7-dimethyl-4-n-propan-2-yl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine</common-name> <description>4-n-benzyl-7,7-dimethyl-4-n-propan-2-yl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine 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>24845127</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">2026-08-30T13:33:34Z</created-at> <updated-at type="dateTime">2026-08-30T13:33:34Z</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(C)N(CC1=CC=CC=C1)C2=C3C(=NC=N2)SC4=C(CC(CC4=N3)(C)C)N</moldb-smiles> <moldb-formula>C22H27N5S</moldb-formula> <moldb-inchi>InChI=1S/C22H27N5S/c1-14(2)27(12-15-8-6-5-7-9-15)20-18-21(25-13-24-20)28-19-16(23)10-22(3,4)11-17(19)26-18/h5-9,13-14H,10-12,23H2,1-4H3</moldb-inchi> <moldb-inchikey>FEUHDOSXWVQGNB-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>4.1</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>CHEM328276</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>4-n-benzyl-7,7-dimethyl-4-n-propan-2-yl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine</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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0282901</sync-id> <structure-inchikey>FEUHDOSXWVQGNB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000900000000000000000000000000000000000040000001000001000000040000000000000002004000000200002000000000000400010000000000000000000008040000000000000020010000000000000040000010000000800001000000000000000004000000000030008000000000001000040000000000048300000800000000000001000201000000100000000000000000020000004000001000000000000080000000200000000084000080100000000000000000000000000000000000000000000000000000000000000000220002000000000260000000000000040000000000000000000000000000000000000000008</structure-fingerprint> 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