2-methyl-4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine

Systemtic Name: 2-methyl-4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine Openeye Name: 2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(m-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 2-methyl-4-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]-6-(4-methyl-1-piperazinyl)pyrimidine IUPAC Name: 2-methyl-4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine Traditional Name: 2-methyl-4-(4-methylpiperazino)-6-[4-(m-tolylsulfonyl)piperazino]pyrimidine Formula: C21H30N6O2S MolecularWeight: 430.5669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCN(CC4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCN(CC4)C)C

InChI

InChI=1S/C21H30N6O2S/c1-17-5-4-6-19(15-17)30(28,29)27-13-11-26(12-14-27)21-16-20(22-18(2)23-21)25-9-7-24(3)8-10-25/h4-6,15-16H,7-14H2,1-3H3