3-[[4-chloranyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-chloranyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-chloro-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCCN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C16H18ClN3O2S/c1-3-7-20(2)14-9-13(17)18-16(19-14)23-10-11-5-4-6-12(8-11)15(21)22/h4-6,8-9H,3,7,10H2,1-2H3,(H,21,22)