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

Systemtic Name: N-(3-bromophenyl)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N-(3-bromophenyl)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N-(3-bromophenyl)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine IUPAC Name: N-(3-bromophenyl)-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: (3-bromophenyl)-(8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-yl)amine Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CNC3=C(N=CN=C3S2)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CNC3=C(N=CN=C3S2)NC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C19H17BrN4O2S/c1-25-14-6-11-9-21-17-18(24-13-5-3-4-12(20)7-13)22-10-23-19(17)27-16(11)8-15(14)26-2/h3-8,10,21H,9H2,1-2H3,(H,22,23,24)