4-butylsulfanyl-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: 4-butylsulfanyl-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: 4-butylsulfanyl-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-(butylthio)-2-cyclopentyl-6-methyl-5-pyrimidinecarboxylate IUPAC Name: 4-butylsulfanyl-2-cyclopentyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-(butylthio)-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylate Formula: C15H21N2O2S- MolecularWeight: 293.40444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)[O-])C)C2CCCC2

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)[O-])C)C2CCCC2

InChI

InChI=1S/C15H22N2O2S/c1-3-4-9-20-14-12(15(18)19)10(2)16-13(17-14)11-7-5-6-8-11/h11H,3-9H2,1-2H3,(H,18,19)/p-1