methyl 5-[[6-azanyl-5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-azanyl-5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-amino-5-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-amino-5-[(5-bromo-2-furoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H13BrN4O6S MolecularWeight: 469.26662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H13BrN4O6S/c1-25-15(24)9-3-2-7(26-9)6-28-16-20-12(18)11(14(23)21-16)19-13(22)8-4-5-10(17)27-8/h2-5H,6H2,1H3,(H,19,22)(H3,18,20,21,23)