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

Systemtic Name: N-(4-methoxyphenyl)-6-methyl-2-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methyl-pyrimidin-4-amine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(4-methoxyphenyl)-6-methyl-4-pyrimidinamine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine Traditional Name: [2-(4-besylpiperazino)-6-methyl-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N5O3S/c1-17-16-21(24-18-8-10-19(30-2)11-9-18)25-22(23-17)26-12-14-27(15-13-26)31(28,29)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,23,24,25)