3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C16H16ClN3O2S/c17-13-9-14(20-6-1-2-7-20)19-16(18-13)23-10-11-4-3-5-12(8-11)15(21)22/h3-5,8-9H,1-2,6-7,10H2,(H,21,22)