3-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(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=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-10-13-6-3-7-14(13)18-16(17-10)21-9-11-4-2-5-12(8-11)15(19)20/h2,4-5,8H,3,6-7,9H2,1H3,(H,19,20)