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

Systemtic Name: 6-(3-chloranyl-2-methyl-phenyl)-2-methylsulfanyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione Openeye Name: 6-(3-chloro-2-methyl-phenyl)-2-methylsulfanyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione CAS Name: 6-(3-chloro-2-methylphenyl)-2-(methylthio)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione IUPAC Name: 6-(3-chloro-2-methylphenyl)-2-methylsulfanyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione Traditional Name: 6-(3-chloro-2-methyl-phenyl)-2-(methylthio)-8H-pyrimido[4,5-d]pyrimidine-5,7-quinone Formula: C14H11ClN4O2S MolecularWeight: 334.78074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CN=C(N=C3NC2=O)SC

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CN=C(N=C3NC2=O)SC

InChI

InChI=1S/C14H11ClN4O2S/c1-7-9(15)4-3-5-10(7)19-12(20)8-6-16-13(22-2)17-11(8)18-14(19)21/h3-6H,1-2H3,(H,16,17,18,21)