1-methyl-3-(2-methylphenyl)-7-(1-methylsulfonylpiperidin-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-methyl-3-(2-methylphenyl)-7-(1-methylsulfonylpiperidin-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-methyl-7-(1-methylsulfonyl-4-piperidyl)-3-(o-tolyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-methyl-3-(2-methylphenyl)-7-(1-methylsulfonyl-4-piperidinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-methyl-3-(2-methylphenyl)-7-(1-methylsulfonylpiperidin-4-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-(1-mesyl-4-piperidyl)-1-methyl-3-(o-tolyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC3=CN=C(N=C3N(C2=O)C)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CC3=CN=C(N=C3N(C2=O)C)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H25N5O3S/c1-14-6-4-5-7-17(14)25-13-16-12-21-18(22-19(16)23(2)20(25)26)15-8-10-24(11-9-15)29(3,27)28/h4-7,12,15H,8-11,13H2,1-3H3