1,3-dimethyl-7-(2-methylphenyl)-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylphenyl)-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-(o-tolyl)-5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(2-methylphenyl)-5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(2-methylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-keto-2-piperidino-ethyl)thio]-1,3-dimethyl-7-(o-tolyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=N2)SCC(=O)N4CCCCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=N2)SCC(=O)N4CCCCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H25N5O3S/c1-14-9-5-6-10-15(14)18-23-19-17(21(29)26(3)22(30)25(19)2)20(24-18)31-13-16(28)27-11-7-4-8-12-27/h5-6,9-10H,4,7-8,11-13H2,1-3H3