6-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-(4-ethylphenyl)-2-(4-methyl-1-piperidyl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-(4-ethylphenyl)-2-(4-methyl-1-piperidinyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-(4-ethylphenyl)-2-(4-methylpiperidino)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=NC3=C(C2=S)C(=O)N=C(N3)N4CCC(CC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=NC3=C(C2=S)C(=O)N=C(N3)N4CCC(CC4)C

InChI

InChI=1S/C20H23N5OS/c1-3-14-4-6-15(7-5-14)25-12-21-17-16(19(25)27)18(26)23-20(22-17)24-10-8-13(2)9-11-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,26)