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

Systemtic Name: N-(3-bromophenyl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N-(3-bromophenyl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N-(3-bromophenyl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine IUPAC Name: N-(3-bromophenyl)-8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: (3-bromophenyl)-(8,9-dimethoxy-2-methyl-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-yl)amine Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O2S/c1-11-23-19(25-14-6-4-5-13(21)8-14)18-20(24-11)28-17-9-16(27-3)15(26-2)7-12(17)10-22-18/h4-9,22H,10H2,1-3H3,(H,23,24,25)