ethanoic acid; ethyl 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethanoic acid; ethyl 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: acetic acid; ethyl 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: acetic acid; 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: acetic acid; ethyl 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: acetic acid; 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H21ClN4O5 MolecularWeight: 420.84684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(NN=C2)C3=CC=C(C=C3)Cl)C.CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(NN=C2)C3=CC=C(C=C3)Cl)C.CC(=O)O

InChI

InChI=1S/C17H17ClN4O3.C2H4O2/c1-3-25-16(23)13-9(2)20-17(24)21-15(13)12-8-19-22-14(12)10-4-6-11(18)7-5-10;1-2(3)4/h4-8,15H,3H2,1-2H3,(H,19,22)(H2,20,21,24);1H3,(H,3,4)