4-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCC2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NC2=C1CCC2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H16N2O2S/c1-10-13-3-2-4-14(13)18-16(17-10)21-9-11-5-7-12(8-6-11)15(19)20/h5-8H,2-4,9H2,1H3,(H,19,20)