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

Systemtic Name: methyl 5-[2-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]ethyl]thiophene-2-carboxylate Openeye Name: methyl 5-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]ethyl]thiophene-2-carboxylate CAS Name: 5-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]ethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]ethyl]thiophene-2-carboxylate Traditional Name: 5-[2-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thio]ethyl]thiophene-2-carboxylic acid methyl ester Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CCSC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC(=O)C1=CC=C(S1)CCSC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C12H14N4O3S2/c1-19-11(18)7-3-2-6(21-7)4-5-20-8-9(13)15-12(14)16-10(8)17/h2-3H,4-5H2,1H3,(H5,13,14,15,16,17)