1,3-dimethyl-7-(3-methylphenyl)-5-(2-oxidanylidenepropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-7-(3-methylphenyl)-5-(2-oxidanylidenepropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-acetonylsulfanyl-1,3-dimethyl-7-(m-tolyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(3-methylphenyl)-5-(2-oxopropylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(3-methylphenyl)-5-(2-oxopropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(acetonylthio)-1,3-dimethyl-7-(m-tolyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C(=N2)SCC(=O)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=N2)SCC(=O)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H18N4O3S/c1-10-6-5-7-12(8-10)14-19-15-13(16(20-14)26-9-11(2)23)17(24)22(4)18(25)21(15)3/h5-8H,9H2,1-4H3