methyl 4-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethyl]thiophene-2-carboxylate

Systemtic Name: methyl 4-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethyl]thiophene-2-carboxylate Openeye Name: methyl 4-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]thiophene-2-carboxylate CAS Name: 4-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)ethyl]thiophene-2-carboxylate Traditional Name: 4-[2-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)ethyl]thiophene-2-carboxylic acid methyl ester Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CS1)CCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC(=O)C1=CC(=CS1)CCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C12H14N4O3S/c1-19-11(18)8-4-6(5-20-8)2-3-7-9(13)15-12(14)16-10(7)17/h4-5H,2-3H2,1H3,(H5,13,14,15,16,17)