ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C16H18N4O3S2/c1-3-5-9-6-12(21)20-16(19-9)24-8-11-10(7-17)14(18)25-13(11)15(22)23-4-2/h6H,3-5,8,18H2,1-2H3,(H,19,20,21)