2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

Systemtic Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Openeye Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine CAS Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine IUPAC Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Traditional Name: [2-[(E)-2-(4-methoxyphenyl)vinyl]-6-(4-methylpiperazino)pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O/c1-16-14-21(27-26-16)24-20-15-22(29-12-10-28(2)11-13-29)25-19(23-20)9-6-17-4-7-18(30-3)8-5-17/h4-9,14-15H,10-13H2,1-3H3,(H2,23,24,25,26,27)/b9-6+