N-(5-methyl-1H-pyrazol-3-yl)-6-(4-methylsulfonylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-6-(4-methylsulfonylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-6-(4-methylsulfonylpiperazin-1-yl)-2-[(E)-styryl]pyrimidin-4-amine CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-6-(4-methylsulfonyl-1-piperazinyl)-2-[(E)-2-phenylethenyl]-4-pyrimidinamine IUPAC Name: N-(5-methyl-1H-pyrazol-3-yl)-6-(4-methylsulfonylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine Traditional Name: [6-(4-mesylpiperazino)-2-[(E)-styryl]pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C21H25N7O2S MolecularWeight: 439.5339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)S(=O)(=O)C)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)S(=O)(=O)C)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H25N7O2S/c1-16-14-20(26-25-16)23-19-15-21(27-10-12-28(13-11-27)31(2,29)30)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+