4-[[4-[cyclohexyl(methyl)amino]-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[4-[cyclohexyl(methyl)amino]-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-[cyclohexyl(methyl)amino]-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-[cyclohexyl(methyl)amino]-5,6-dimethyl-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[[4-[cyclohexyl(methyl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-[cyclohexyl(methyl)amino]-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]benzoate Formula: C21H26N3O2S- MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N(C)C2CCCCC2)SCC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1N(C)C2CCCCC2)SCC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C21H27N3O2S/c1-14-15(2)22-21(23-19(14)24(3)18-7-5-4-6-8-18)27-13-16-9-11-17(12-10-16)20(25)26/h9-12,18H,4-8,13H2,1-3H3,(H,25,26)/p-1