[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 5-chloranyl-2-[(phenylmethyl)amino]pyrimidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 5-chloranyl-2-[(phenylmethyl)amino]pyrimidine-4-carboxylate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 2-(benzylamino)-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(phenylmethyl)amino]-4-pyrimidinecarboxylic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(benzylamino)-5-chloropyrimidine-4-carboxylate Traditional Name: 2-(benzylamino)-5-chloro-pyrimidine-4-carboxylic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C24H25ClN4O3 MolecularWeight: 452.9333

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=NC(=NC=C2Cl)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=NC(=NC=C2Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C24H25ClN4O3/c1-17(2)29(15-19-11-7-4-8-12-19)21(30)16-32-23(31)22-20(25)14-27-24(28-22)26-13-18-9-5-3-6-10-18/h3-12,14,17H,13,15-16H2,1-2H3,(H,26,27,28)