6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 2-(4-methyl-1-piperidyl)-6-(m-tolyl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-(3-methylphenyl)-2-(4-methyl-1-piperidinyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 2-(4-methylpiperidino)-6-(m-tolyl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5OS/c1-12-6-8-23(9-7-12)19-21-16-15(17(25)22-19)18(26)24(11-20-16)14-5-3-4-13(2)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,21,22,25)