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

Systemtic Name: 4-butylsulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: 4-butylsulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-(butylthio)-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylate IUPAC Name: 4-butylsulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-(butylthio)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Formula: C13H17N2O2S- MolecularWeight: 265.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)[O-])C)C2CC2

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)[O-])C)C2CC2

InChI

InChI=1S/C13H18N2O2S/c1-3-4-7-18-12-10(13(16)17)8(2)14-11(15-12)9-5-6-9/h9H,3-7H2,1-2H3,(H,16,17)/p-1