4-methyl-2-[4-(phenylsulfonyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-methyl-2-[4-(phenylsulfonyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-4-methyl-6-(1-piperidyl)pyrimidine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-4-methyl-6-(1-piperidinyl)pyrimidine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine Traditional Name: 2-(4-besylpiperazino)-4-methyl-6-piperidino-pyrimidine Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C20H27N5O2S/c1-17-16-19(23-10-6-3-7-11-23)22-20(21-17)24-12-14-25(15-13-24)28(26,27)18-8-4-2-5-9-18/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3