N-(3H-benzimidazol-5-yl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine

Systemtic Name: N-(3H-benzimidazol-5-yl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N-(3H-benzimidazol-5-yl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N-(3H-benzimidazol-5-yl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine IUPAC Name: N-(3H-benzimidazol-5-yl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: 3H-benzimidazol-5-yl-(8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-yl)amine Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=N1)SC3=CC(=C(C=C3CN2)OC)OC)NC4=CC5=C(C=C4)N=CN5

Isomeric SMILES

CC1=NC(=C2C(=N1)SC3=CC(=C(C=C3CN2)OC)OC)NC4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C21H20N6O2S/c1-11-25-20(27-13-4-5-14-15(7-13)24-10-23-14)19-21(26-11)30-18-8-17(29-3)16(28-2)6-12(18)9-22-19/h4-8,10,22H,9H2,1-3H3,(H,23,24)(H,25,26,27)