324615 <common-name>7,7-dimethyl-4-n-pentyl-4-n-propan-2-yl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine</common-name> <description>7,7-dimethyl-4-n-pentyl-4-n-propan-2-yl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazine-4,9-diamine is a chemical compound with the formula C20H31N5S. It has an average molecular weight of 373.60 g/mol.</description> <cas nil="true"/> <pubchem-id>24845125</pubchem-id> <chemical-formula>C20H31N5S</chemical-formula> <weight>373.6</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">2026-08-30T01:56:48Z</created-at> <updated-at type="dateTime">2026-08-30T01:56:48Z</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>CCCCCN(C1=C2C(=NC=N1)SC3=C(CC(CC3=N2)(C)C)N)C(C)C</moldb-smiles> <moldb-formula>C20H31N5S</moldb-formula> <moldb-inchi>InChI=1S/C20H31N5S/c1-6-7-8-9-25(13(2)3)18-16-19(23-12-22-18)26-17-14(21)10-20(4,5)11-15(17)24-16/h12-13H,6-11,21H2,1-5H3</moldb-inchi> <moldb-inchikey>TUFLDQWEJFUTTG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">373.2300172</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</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>CHEM320508</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>7,7-dimethyl-4-n-pentyl-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>CED0275270</sync-id> <structure-inchikey>TUFLDQWEJFUTTG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000900000000000000000000000000000000000040000001000001002000040000000000000002000000000200002000000000000400000000000000000000000018040000000000000020010000000000000040000010000000820001000000000000000004000000000030008000000000001000040000000000048100000000000000000000000201000000000000000000000000020000004000001000000000000080000000200000008084000080100000000000000000000000020000000000000000000040000000000000000000000000000000000240000000000000041000000010000000001000000000000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������(������@(������@(������@(������@(������@h�������@(������� ������(�������(�������`������� ������`�������(�������(�������`�������`�������h��������`�������`�������`����������������������� ��h���h�� h� h� �h����� � �(���������������(��������� �����������h��� � B������� ���� ���������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:28:44Z</structure-indexed-at> </compound>