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

Systemtic Name: 1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-(2-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-isopentylsulfanyl-1,3-dimethyl-7-(o-tolyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-(3-methylbutylthio)-7-(2-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(3-methylbutylsulfanyl)-7-(2-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(isoamylthio)-1,3-dimethyl-7-(o-tolyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H24N4O2S MolecularWeight: 384.49516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=N2)SCCC(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=N2)SCCC(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H24N4O2S/c1-12(2)10-11-27-18-15-17(23(4)20(26)24(5)19(15)25)21-16(22-18)14-9-7-6-8-13(14)3/h6-9,12H,10-11H2,1-5H3