2-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 2-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(4-keto-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C15H14N2O3S/c18-13-11-6-3-7-12(11)16-15(17-13)21-8-9-4-1-2-5-10(9)14(19)20/h1-2,4-5H,3,6-8H2,(H,19,20)(H,16,17,18)