4-chloranyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 4-chloranyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 4-chloro-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine CAS Name: 4-chloro-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 4-chloro-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 4-chloro-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CNC3=C(S2)N=CN=C3Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CNC3=C(S2)N=CN=C3Cl)OC

InChI

InChI=1S/C13H12ClN3O2S/c1-18-8-3-7-5-15-11-12(14)16-6-17-13(11)20-10(7)4-9(8)19-2/h3-4,6,15H,5H2,1-2H3