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

Systemtic Name: 2-[(E)-2-(4-bromophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Openeye Name: 2-[(E)-2-(4-bromophenyl)vinyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine CAS Name: 2-[(E)-2-(4-bromophenyl)ethenyl]-6-(4-methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine IUPAC Name: 2-[(E)-2-(4-bromophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Traditional Name: [2-[(E)-2-(4-bromophenyl)vinyl]-6-(4-methylpiperazino)pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C21H24BrN7 MolecularWeight: 454.36616

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN7/c1-15-13-20(27-26-15)24-19-14-21(29-11-9-28(2)10-12-29)25-18(23-19)8-5-16-3-6-17(22)7-4-16/h3-8,13-14H,9-12H2,1-2H3,(H2,23,24,25,26,27)/b8-5+