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

Systemtic Name: methyl 5-[6-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]hexyl]thiophene-2-carboxylate Openeye Name: methyl 5-[6-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)hexyl]thiophene-2-carboxylate CAS Name: 5-[6-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)hexyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[6-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)hexyl]thiophene-2-carboxylate Traditional Name: 5-[6-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)hexyl]thiophene-2-carboxylic acid methyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CCCCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC(=O)C1=CC=C(S1)CCCCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C16H22N4O3S/c1-23-15(22)12-9-8-10(24-12)6-4-2-3-5-7-11-13(17)19-16(18)20-14(11)21/h8-9H,2-7H2,1H3,(H5,17,18,19,20,21)