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

Systemtic Name: 2-[2-[4-azanyl-1-methyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(4-amino-2,6-diketo-1-methyl-3-propyl-pyrimidin-5-yl)-2-keto-ethyl]thio]benzoic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=C2C(=O)O)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=C2C(=O)O)N

InChI

InChI=1S/C17H19N3O5S/c1-3-8-20-14(18)13(15(22)19(2)17(20)25)11(21)9-26-12-7-5-4-6-10(12)16(23)24/h4-7H,3,8-9,18H2,1-2H3,(H,23,24)