4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2-methoxycarbonyl-phenolate

Systemtic Name: 4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2-methoxycarbonyl-phenolate Openeye Name: 4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-2-methoxycarbonyl-phenolate CAS Name: 4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-2-methoxycarbonylphenolate IUPAC Name: 4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-2-methoxycarbonylphenolate Traditional Name: 4-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]-2-carbomethoxy-phenolate Formula: C14H12N3O5S- MolecularWeight: 334.32718

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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)/p-1