N-methyl-N-(3-methylphenyl)-6-[4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-methyl-N-(3-methylphenyl)-6-[4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methyl-N-(m-tolyl)pyrimidin-4-amine CAS Name: 6-[4-[2-(benzenesulfonyl)ethyl]-1-piperazinyl]-N-methyl-N-(3-methylphenyl)-4-pyrimidinamine IUPAC Name: 6-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine Traditional Name: [6-[4-(2-besylethyl)piperazino]pyrimidin-4-yl]-methyl-(m-tolyl)amine Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)N3CCN(CC3)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)N3CCN(CC3)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2S/c1-20-7-6-8-21(17-20)27(2)23-18-24(26-19-25-23)29-13-11-28(12-14-29)15-16-32(30,31)22-9-4-3-5-10-22/h3-10,17-19H,11-16H2,1-2H3