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

Systemtic Name: 6-methyl-N-phenyl-2-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-6-methyl-N-phenyl-pyrimidin-4-amine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-6-methyl-N-phenyl-4-pyrimidinamine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine Traditional Name: [2-(4-besylpiperazino)-6-methyl-pyrimidin-4-yl]-phenyl-amine Formula: C21H23N5O2S MolecularWeight: 409.50462

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-17-16-20(23-18-8-4-2-5-9-18)24-21(22-17)25-12-14-26(15-13-25)29(27,28)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,22,23,24)