4-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methyl]-2-methyl-piperazine-1-carboxylic acid

Systemtic Name: 4-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methyl]-2-methyl-piperazine-1-carboxylic acid Openeye Name: 4-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methyl]-2-methyl-piperazine-1-carboxylic acid CAS Name: 4-[[4-[[5-(4-methoxyphenyl)-2-pyrimidinyl]amino]phenyl]methyl]-2-methyl-1-piperazinecarboxylic acid IUPAC Name: 4-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methyl]-2-methylpiperazine-1-carboxylic acid Traditional Name: 4-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzyl]-2-methyl-piperazine-1-carboxylic acid Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)O)CC2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1CN(CCN1C(=O)O)CC2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H27N5O3/c1-17-15-28(11-12-29(17)24(30)31)16-18-3-7-21(8-4-18)27-23-25-13-20(14-26-23)19-5-9-22(32-2)10-6-19/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,30,31)(H,25,26,27)