4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)N(CC)CC

InChI

InChI=1S/C18H23N3O2S/c1-4-15-11-16(21(5-2)6-3)20-18(19-15)24-12-13-7-9-14(10-8-13)17(22)23/h7-11H,4-6,12H2,1-3H3,(H,22,23)