2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C15H16N4O6S MolecularWeight: 380.37574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=NC(=O)C=C(N2)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=NC(=O)C=C(N2)N)OC

InChI

InChI=1S/C15H16N4O6S/c1-24-9-3-7(14(22)23)8(4-10(9)25-2)17-13(21)6-26-15-18-11(16)5-12(20)19-15/h3-5H,6H2,1-2H3,(H,17,21)(H,22,23)(H3,16,18,19,20)