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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)Br)C2=C3C(=NC=N2)SC4=CC(=C(C=C4CN3)OC)OC

Isomeric SMILES

CN(C1=CC(=CC=C1)Br)C2=C3C(=NC=N2)SC4=CC(=C(C=C4CN3)OC)OC

InChI

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