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

Systemtic Name: methyl 5-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]thiophene-3-carboxylate Openeye Name: methyl 5-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]thiophene-3-carboxylate CAS Name: 5-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]thiophene-3-carboxylate Traditional Name: 5-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)butyl]thiophene-3-carboxylic acid methyl ester Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)CCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC(=O)C1=CSC(=C1)CCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C14H18N4O3S/c1-21-13(20)8-6-9(22-7-8)4-2-3-5-10-11(15)17-14(16)18-12(10)19/h6-7H,2-5H2,1H3,(H5,15,16,17,18,19)