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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=C(C(=CC(=N4)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CSC4=C(C(=CC(=N4)C)C)C#N

InChI

InChI=1S/C23H22N4O5S/c1-4-30-22(28)19-16(10-33-21-15(9-24)12(2)7-13(3)25-21)26-23(29)27-20(19)14-5-6-17-18(8-14)32-11-31-17/h5-8,20H,4,10-11H2,1-3H3,(H2,26,27,29)