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2-cyclohexyl-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate

2-cyclohexyl-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name:2-cyclohexyl-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate
Openeye Name:2-cyclohexyl-4-isopentylsulfanyl-6-methyl-pyrimidine-5-carboxylate
CAS Name:2-cyclohexyl-4-methyl-6-(3-methylbutylthio)-5-pyrimidinecarboxylate
IUPAC Name:2-cyclohexyl-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylate
Traditional Name:2-cyclohexyl-4-(isoamylthio)-6-methyl-pyrimidine-5-carboxylate
Formula: C17H25N2O2S-
MolecularWeight: 321.4576
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCCC2)SCCC(C)C)C(=O)[O-]


Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCCC2)SCCC(C)C)C(=O)[O-]


InChI

InChI=1S/C17H26N2O2S/c1-11(2)9-10-22-16-14(17(20)21)12(3)18-15(19-16)13-7-5-4-6-8-13/h11,13H,4-10H2,1-3H3,(H,20,21)/p-1


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