ethyl 4-(1,3-benzodioxol-5-yl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-[[(1-methyl-2-imidazolyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=NC=CN4C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=NC=CN4C

InChI

InChI=1S/C19H20N4O5S/c1-3-26-17(24)15-12(9-29-19-20-6-7-23(19)2)21-18(25)22-16(15)11-4-5-13-14(8-11)28-10-27-13/h4-8,16H,3,9-10H2,1-2H3,(H2,21,22,25)