methyl 5-[3-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]propyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]propyl]thiophene-2-carboxylate Openeye Name: methyl 5-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]propyl]thiophene-2-carboxylate CAS Name: 5-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]propyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]propyl]thiophene-2-carboxylate Traditional Name: 5-[3-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thio]propyl]thiophene-2-carboxylic acid methyl ester Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CCCSC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC(=O)C1=CC=C(S1)CCCSC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C13H16N4O3S2/c1-20-12(19)8-5-4-7(22-8)3-2-6-21-9-10(14)16-13(15)17-11(9)18/h4-5H,2-3,6H2,1H3,(H5,14,15,16,17,18)