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

Systemtic Name: 4-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(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=C(C=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H14N2O3S/c18-13-11-2-1-3-12(11)16-15(17-13)21-8-9-4-6-10(7-5-9)14(19)20/h4-7H,1-3,8H2,(H,19,20)(H,16,17,18)