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

Systemtic Name: 4-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-ethyl-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-4-10-21(3)16-11-15(5-2)19-18(20-16)24-12-13-6-8-14(9-7-13)17(22)23/h6-9,11H,4-5,10,12H2,1-3H3,(H,22,23)