[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate

Systemtic Name: [4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate Openeye Name: [4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]benzoic acid [4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl] 4-[(4-methylpiperazin-1-yl)methyl]benzoate Traditional Name: 4-[(4-methylpiperazino)methyl]benzoic acid [4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl] ester Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C29H30N6O2/c1-21-5-10-25(18-27(21)33-29-31-13-11-26(32-29)24-4-3-12-30-19-24)37-28(36)23-8-6-22(7-9-23)20-35-16-14-34(2)15-17-35/h3-13,18-19H,14-17,20H2,1-2H3,(H,31,32,33)