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

Systemtic Name: N-(1H-indazol-6-yl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N-(1H-indazol-6-yl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N-(1H-indazol-6-yl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine IUPAC Name: N-(1H-indazol-6-yl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: (8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-yl)-(1H-indazol-6-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)C=NN5

Isomeric SMILES

CC1=NC(=C2C(=N1)SC3=CC(=C(C=C3CN2)OC)OC)NC4=CC5=C(C=C4)C=NN5

InChI

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