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

Systemtic Name: 2-(4-methylpiperidin-1-yl)-6-naphthalen-2-yl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 2-(4-methyl-1-piperidyl)-6-(2-naphthyl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 2-(4-methyl-1-piperidinyl)-6-(2-naphthalenyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 2-(4-methylpiperidin-1-yl)-6-naphthalen-2-yl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 2-(4-methylpiperidino)-6-(2-naphthyl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C22H21N5OS MolecularWeight: 403.50004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=O)C3=C(N2)N=CN(C3=S)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1CCN(CC1)C2=NC(=O)C3=C(N2)N=CN(C3=S)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H21N5OS/c1-14-8-10-26(11-9-14)22-24-19-18(20(28)25-22)21(29)27(13-23-19)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12-14H,8-11H2,1H3,(H,24,25,28)