methyl 5-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2-oxidanyl-benzoate Openeye Name: methyl 5-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-2-hydroxy-benzoate CAS Name: 5-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-2-hydroxybenzoate Traditional Name: 5-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]-2-hydroxy-benzoic acid methyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5S/c1-22-13(21)8-4-7(2-3-9(8)18)10(19)6-23-14-16-11(15)5-12(20)17-14/h2-5,18H,6H2,1H3,(H3,15,16,17,20)