8-(4-bromophenyl)-1,3-dimethyl-6-phenyl-7H-pyrimido[4,5-b][1,4]diazepine-2,4-dione

Systemtic Name: 8-(4-bromophenyl)-1,3-dimethyl-6-phenyl-7H-pyrimido[4,5-b][1,4]diazepine-2,4-dione Openeye Name: 8-(4-bromophenyl)-1,3-dimethyl-6-phenyl-7H-pyrimido[4,5-b][1,4]diazepine-2,4-dione CAS Name: 8-(4-bromophenyl)-1,3-dimethyl-6-phenyl-7H-pyrimido[4,5-b][1,4]diazepine-2,4-dione IUPAC Name: 8-(4-bromophenyl)-1,3-dimethyl-6-phenyl-7H-pyrimido[4,5-b][1,4]diazepine-2,4-dione Traditional Name: 8-(4-bromophenyl)-1,3-dimethyl-6-phenyl-7H-pyrimido[4,5-b][1,4]diazepine-2,4-quinone Formula: C21H17BrN4O2 MolecularWeight: 437.28928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN4O2/c1-25-19-18(20(27)26(2)21(25)28)23-16(13-6-4-3-5-7-13)12-17(24-19)14-8-10-15(22)11-9-14/h3-11H,12H2,1-2H3