ethyl 6-[[4-(2-cyanoethanoylamino)phenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(2-cyanoethanoylamino)phenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C18H18N4O6/c1-2-27-17(25)13-9-20-18(26)22-14(13)10-28-16(24)11-3-5-12(6-4-11)21-15(23)7-8-19/h3-6H,2,7,9-10H2,1H3,(H,21,23)(H2,20,22,26)