(phenylmethyl) (2R)-4-[5-[(2-aminophenyl)carbamoyl]pyrimidin-2-yl]-2-methyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-4-[5-[(2-aminophenyl)carbamoyl]pyrimidin-2-yl]-2-methyl-piperazine-1-carboxylate Openeye Name: benzyl (2R)-4-[5-[(2-aminophenyl)carbamoyl]pyrimidin-2-yl]-2-methyl-piperazine-1-carboxylate CAS Name: (2R)-4-[5-[(2-aminoanilino)-oxomethyl]-2-pyrimidinyl]-2-methyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-4-[5-[(2-aminophenyl)carbamoyl]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate Traditional Name: (2R)-4-[5-[(2-aminophenyl)carbamoyl]pyrimidin-2-yl]-2-methyl-piperazine-1-carboxylic acid benzyl ester Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C24H26N6O3/c1-17-15-29(11-12-30(17)24(32)33-16-18-7-3-2-4-8-18)23-26-13-19(14-27-23)22(31)28-21-10-6-5-9-20(21)25/h2-10,13-14,17H,11-12,15-16,25H2,1H3,(H,28,31)/t17-/m1/s1