ethyl 2-[5-methyl-3-oxidanylidene-4-(phenylmethyl)-1H-pyrazol-2-yl]-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[5-methyl-3-oxidanylidene-4-(phenylmethyl)-1H-pyrazol-2-yl]-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-[5-methyl-3-oxo-4-(phenylmethyl)-1H-pyrazol-2-yl]-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-benzyl-5-keto-3-methyl-3-pyrazolin-1-yl)-6-keto-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C(=C(N2)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C(=C(N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O4/c1-3-26-17(25)14-10-19-18(20-15(14)23)22-16(24)13(11(2)21-22)9-12-7-5-4-6-8-12/h4-8,10,21H,3,9H2,1-2H3,(H,19,20,23)