N-[3-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine

Systemtic Name: N-[3-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine Openeye Name: N-[3-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine CAS Name: N-[3-methyl-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-4-(2-phenyl-3-pyrazolyl)-2-pyrimidinamine IUPAC Name: N-[3-methyl-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine Traditional Name: [3-methyl-5-(4-methylpiperazino)sulfonyl-phenyl]-[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amine Formula: C25H27N7O2S MolecularWeight: 489.59258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)N2CCN(CC2)C)NC3=NC=CC(=N3)C4=CC=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)N2CCN(CC2)C)NC3=NC=CC(=N3)C4=CC=NN4C5=CC=CC=C5

InChI

InChI=1S/C25H27N7O2S/c1-19-16-20(18-22(17-19)35(33,34)31-14-12-30(2)13-15-31)28-25-26-10-8-23(29-25)24-9-11-27-32(24)21-6-4-3-5-7-21/h3-11,16-18H,12-15H2,1-2H3,(H,26,28,29)