methyl (2Z)-5,6-bis(oxidanylidene)-2-[3-(phenylmethyl)-1H-imidazol-2-ylidene]pyrimidine-4-carboxylate

Systemtic Name: methyl (2Z)-5,6-bis(oxidanylidene)-2-[3-(phenylmethyl)-1H-imidazol-2-ylidene]pyrimidine-4-carboxylate Openeye Name: methyl (2Z)-2-(3-benzyl-1H-imidazol-2-ylidene)-5,6-dioxo-pyrimidine-4-carboxylate CAS Name: (2Z)-5,6-dioxo-2-[3-(phenylmethyl)-1H-imidazol-2-ylidene]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-(3-benzyl-1H-imidazol-2-ylidene)-5,6-dioxopyrimidine-4-carboxylate Traditional Name: (2Z)-2-(1-benzyl-4-imidazolin-2-ylidene)-5,6-diketo-pyrimidine-4-carboxylic acid methyl ester Formula: C16H14N4O4 MolecularWeight: 326.30676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=C2NC=CN2CC3=CC=CC=C3)NC(=O)C1=O

Isomeric SMILES

COC(=O)C1=N/C(=C\2/NC=CN2CC3=CC=CC=C3)/NC(=O)C1=O

InChI

InChI=1S/C16H14N4O4/c1-24-16(23)11-12(21)15(22)19-13(18-11)14-17-7-8-20(14)9-10-5-3-2-4-6-10/h2-8,17H,9H2,1H3,(H,19,22)/b14-13+