2-[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl]thio]benzoic acid Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=C2C(=O)O)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=C2C(=O)O)N

InChI

InChI=1S/C15H15N3O5S/c1-17-12(16)11(13(20)18(2)15(17)23)9(19)7-24-10-6-4-3-5-8(10)14(21)22/h3-6H,7,16H2,1-2H3,(H,21,22)