6-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one

Systemtic Name: 6-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one Openeye Name: 6-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one CAS Name: 6-(4-chlorophenyl)-3-methyl-2-(methylthio)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one IUPAC Name: 6-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one Traditional Name: 6-(4-chlorophenyl)-3-methyl-2-(methylthio)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(NC(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=C1SC

InChI

InChI=1S/C21H19ClN4OS/c1-26-20(27)18-19(25-21(26)28-2)24-17(13-6-4-3-5-7-13)12-16(23-18)14-8-10-15(22)11-9-14/h3-11,17,24H,12H2,1-2H3