dimethyl 5-azanyl-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S2/c1-4-5-8-6-10(20)19-16(18-8)25-7-9-11(14(21)23-2)13(17)26-12(9)15(22)24-3/h6H,4-5,7,17H2,1-3H3,(H,18,19,20)