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

Systemtic Name: N-methyl-N-(3-methylphenyl)-6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-methyl-6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-N-(m-tolyl)pyrimidin-4-amine CAS Name: N-methyl-N-(3-methylphenyl)-6-[4-[(4-methylsulfonylphenyl)methyl]-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-methyl-N-(3-methylphenyl)-6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyrimidin-4-amine Traditional Name: [6-[4-(4-mesylbenzyl)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)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)N3CCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H29N5O2S/c1-19-5-4-6-21(15-19)27(2)23-16-24(26-18-25-23)29-13-11-28(12-14-29)17-20-7-9-22(10-8-20)32(3,30)31/h4-10,15-16,18H,11-14,17H2,1-3H3