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

Systemtic Name: 2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 2-methyl-4-(1-piperidyl)-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 2-methyl-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 2-methyl-4-piperidino-6-(4-tosylpiperazino)pyrimidine Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCCC4)C

InChI

InChI=1S/C21H29N5O2S/c1-17-6-8-19(9-7-17)29(27,28)26-14-12-25(13-15-26)21-16-20(22-18(2)23-21)24-10-4-3-5-11-24/h6-9,16H,3-5,10-15H2,1-2H3