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

Systemtic Name: 5-cyclopentylsulfanyl-1,3-dimethyl-7-(3-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-cyclopentylsulfanyl-1,3-dimethyl-7-(m-tolyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(cyclopentylthio)-1,3-dimethyl-7-(3-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-cyclopentylsulfanyl-1,3-dimethyl-7-(3-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(cyclopentylthio)-1,3-dimethyl-7-(m-tolyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C(=N2)SC4CCCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=N2)SC4CCCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H22N4O2S/c1-12-7-6-8-13(11-12)16-21-17-15(19(25)24(3)20(26)23(17)2)18(22-16)27-14-9-4-5-10-14/h6-8,11,14H,4-5,9-10H2,1-3H3