[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-[(phenylmethyl)amino]pyrimidine-4-carboxylate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-[(phenylmethyl)amino]pyrimidine-4-carboxylate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-(benzylamino)-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(phenylmethyl)amino]-4-pyrimidinecarboxylic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(benzylamino)-5-chloropyrimidine-4-carboxylate Traditional Name: 2-(benzylamino)-5-chloro-pyrimidine-4-carboxylic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=NC(=NC=C2Cl)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=NC(=NC=C2Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C23H23ClN4O3/c1-3-16-9-11-18(12-10-16)27-21(29)15(2)31-22(30)20-19(24)14-26-23(28-20)25-13-17-7-5-4-6-8-17/h4-12,14-15H,3,13H2,1-2H3,(H,27,29)(H,25,26,28)