4-[[5-methyl-2,4-bis(oxidanylidene)-6-sulfanyl-1H-pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-methyl-2,4-bis(oxidanylidene)-6-sulfanyl-1H-pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[(5-methyl-2,4-dioxo-6-sulfanyl-1H-pyrimidin-3-yl)methyl]benzoic acid CAS Name: 4-[(6-mercapto-5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)methyl]benzoic acid IUPAC Name: 4-[(5-methyl-2,4-dioxo-6-sulfanyl-1H-pyrimidin-3-yl)methyl]benzoic acid Traditional Name: 4-[(2,4-diketo-6-mercapto-5-methyl-1H-pyrimidin-3-yl)methyl]benzoic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)O)S

Isomeric SMILES

CC1=C(NC(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)O)S

InChI

InChI=1S/C13H12N2O4S/c1-7-10(20)14-13(19)15(11(7)16)6-8-2-4-9(5-3-8)12(17)18/h2-5,20H,6H2,1H3,(H,14,19)(H,17,18)