4-(3-bromophenyl)sulfanyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine

Systemtic Name: 4-(3-bromophenyl)sulfanyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine Openeye Name: 4-(3-bromophenyl)sulfanyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine CAS Name: 4-[(3-bromophenyl)thio]-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine IUPAC Name: 4-(3-bromophenyl)sulfanyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine Traditional Name: 4-[(3-bromophenyl)thio]-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CNC3=C(O2)N=CN=C3SC4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CNC3=C(O2)N=CN=C3SC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C19H16BrN3O3S/c1-24-15-6-11-9-21-17-18(26-14(11)8-16(15)25-2)22-10-23-19(17)27-13-5-3-4-12(20)7-13/h3-8,10,21H,9H2,1-2H3