4-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine

Systemtic Name: 4-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine Openeye Name: N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[1-methyl-5-(p-tolyl)pyrazol-4-yl]pyrimidin-2-amine CAS Name: 4-[1-methyl-5-(4-methylphenyl)-4-pyrazolyl]-N-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-2-pyrimidinamine IUPAC Name: 4-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine Traditional Name: [4-[(4-methylpiperazino)methyl]phenyl]-[4-[1-methyl-5-(p-tolyl)pyrazol-4-yl]pyrimidin-2-yl]amine Formula: C27H31N7 MolecularWeight: 453.58194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NC(=NC=C3)NC4=CC=C(C=C4)CN5CCN(CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NC(=NC=C3)NC4=CC=C(C=C4)CN5CCN(CC5)C

InChI

InChI=1S/C27H31N7/c1-20-4-8-22(9-5-20)26-24(18-29-33(26)3)25-12-13-28-27(31-25)30-23-10-6-21(7-11-23)19-34-16-14-32(2)15-17-34/h4-13,18H,14-17,19H2,1-3H3,(H,28,30,31)