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

Systemtic Name: 1,3-dimethyl-7-phenyl-5-(2-piperidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-phenyl-5-[2-(1-piperidyl)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-phenyl-5-[2-(1-piperidinyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-phenyl-5-(2-piperidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-phenyl-5-(2-piperidinoethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCCN4CCCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCCN4CCCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H25N5O2S/c1-24-18-16(20(27)25(2)21(24)28)19(29-14-13-26-11-7-4-8-12-26)23-17(22-18)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3