4-chloranyl-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 4-chloranyl-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 4-chloro-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine CAS Name: 4-chloro-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 4-chloro-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 4-chloro-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine Formula: C14H14ClN3O2S MolecularWeight: 323.79786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)Cl)NCC3=CC(=C(C=C3S2)OC)OC

Isomeric SMILES

CC1=NC2=C(C(=N1)Cl)NCC3=CC(=C(C=C3S2)OC)OC

InChI

InChI=1S/C14H14ClN3O2S/c1-7-17-13(15)12-14(18-7)21-11-5-10(20-3)9(19-2)4-8(11)6-16-12/h4-5,16H,6H2,1-3H3