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

Systemtic Name: 1,3-dimethyl-7-(3-methylphenyl)-5-(2-piperidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-(m-tolyl)-5-[2-(1-piperidyl)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(3-methylphenyl)-5-[2-(1-piperidinyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(3-methylphenyl)-5-(2-piperidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-(m-tolyl)-5-(2-piperidinoethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H27N5O2S MolecularWeight: 425.54708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C(=N2)SCCN4CCCCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=N2)SCCN4CCCCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H27N5O2S/c1-15-8-7-9-16(14-15)18-23-19-17(21(28)26(3)22(29)25(19)2)20(24-18)30-13-12-27-10-5-4-6-11-27/h7-9,14H,4-6,10-13H2,1-3H3