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

Systemtic Name: methyl 5-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(6-amino-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O5S/c1-26-17(25)12-8-7-11(27-12)9-28-18-21-14(19)13(16(24)22-18)20-15(23)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,20,23)(H3,19,21,22,24)