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

Systemtic Name: 1-methyl-3-(2-methylphenyl)-7-[(1-methylsulfonylpiperidin-4-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-methyl-7-[(1-methylsulfonyl-4-piperidyl)amino]-3-(o-tolyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-methyl-3-(2-methylphenyl)-7-[(1-methylsulfonyl-4-piperidinyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-methyl-3-(2-methylphenyl)-7-[(1-methylsulfonylpiperidin-4-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(1-mesyl-4-piperidyl)amino]-1-methyl-3-(o-tolyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC3=CN=C(N=C3N(C2=O)C)NC4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CC3=CN=C(N=C3N(C2=O)C)NC4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H26N6O3S/c1-14-6-4-5-7-17(14)26-13-15-12-21-19(23-18(15)24(2)20(26)27)22-16-8-10-25(11-9-16)30(3,28)29/h4-7,12,16H,8-11,13H2,1-3H3,(H,21,22,23)