5-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-4,7-dione

Systemtic Name: 5-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-4,7-dione Openeye Name: 5-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-4,7-dione CAS Name: 5-(4-chlorophenyl)-3-methyl-2-(methylthio)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-4,7-dione IUPAC Name: 5-(4-chlorophenyl)-3-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-4,7-dione Traditional Name: 5-(4-chlorophenyl)-3-methyl-2-(methylthio)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-4,7-quinone Formula: C14H13ClN4O2S MolecularWeight: 336.79662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)Cl)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)Cl)N=C1SC

InChI

InChI=1S/C14H13ClN4O2S/c1-19-12(20)9-10(7-3-5-8(15)6-4-7)16-13(21)17-11(9)18-14(19)22-2/h3-6,10H,1-2H3,(H2,16,17,21)