3-methyl-2-[(2R)-2-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]-6-pyrimidin-4-yl-pyrimidin-4-one

Systemtic Name: 3-methyl-2-[(2R)-2-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]-6-pyrimidin-4-yl-pyrimidin-4-one Openeye Name: 3-methyl-2-[(2R)-2-methyl-4-(p-tolylsulfonyl)piperazin-1-yl]-6-pyrimidin-4-yl-pyrimidin-4-one CAS Name: 3-methyl-2-[(2R)-2-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-(4-pyrimidinyl)-4-pyrimidinone IUPAC Name: 3-methyl-2-[(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one Traditional Name: 3-methyl-2-[(2R)-2-methyl-4-tosyl-piperazino]-6-(4-pyrimidyl)pyrimidin-4-one Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC(=CC(=O)N2C)C3=NC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

C[C@@H]1CN(CCN1C2=NC(=CC(=O)N2C)C3=NC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H24N6O3S/c1-15-4-6-17(7-5-15)31(29,30)26-10-11-27(16(2)13-26)21-24-19(12-20(28)25(21)3)18-8-9-22-14-23-18/h4-9,12,14,16H,10-11,13H2,1-3H3/t16-/m1/s1