ethyl 6-(benzimidazol-1-ylmethyl)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(benzimidazol-1-ylmethyl)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(benzimidazol-1-ylmethyl)-4-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(1-benzimidazolylmethyl)-4-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzimidazol-1-ylmethyl)-4-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(benzimidazol-1-ylmethyl)-4-(1,3-benzodioxol-5-yl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4C=NC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4C=NC5=CC=CC=C54

InChI

InChI=1S/C22H20N4O5/c1-2-29-21(27)19-15(10-26-11-23-14-5-3-4-6-16(14)26)24-22(28)25-20(19)13-7-8-17-18(9-13)31-12-30-17/h3-9,11,20H,2,10,12H2,1H3,(H2,24,25,28)