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

Systemtic Name: 6-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one Openeye Name: 6-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one CAS Name: 6-(4-chlorophenyl)-3-methyl-2-(methylthio)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one IUPAC Name: 6-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one Traditional Name: 6-(4-chlorophenyl)-3-methyl-2-(methylthio)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one Formula: C15H15ClN4OS MolecularWeight: 334.8238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4OS/c1-20-14(21)12-13(19-15(20)22-2)17-8-7-11(18-12)9-3-5-10(16)6-4-9/h3-6,17H,7-8H2,1-2H3