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

Systemtic Name: methyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propyl]thiophene-2-carboxylate Openeye Name: methyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]thiophene-2-carboxylate CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]thiophene-2-carboxylate Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propyl]thiophene-2-carboxylic acid methyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CS1)CCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC(=O)C1=CC(=CS1)CCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C13H16N4O3S/c1-20-12(19)9-5-7(6-21-9)3-2-4-8-10(14)16-13(15)17-11(8)18/h5-6H,2-4H2,1H3,(H5,14,15,16,17,18)