4-methyl-2-propan-2-yl-6-propylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 4-methyl-2-propan-2-yl-6-propylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 2-isopropyl-4-methyl-6-propylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-propan-2-yl-6-(propylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-methyl-2-propan-2-yl-6-propylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-isopropyl-4-methyl-6-(propylthio)pyrimidine-5-carboxylate Formula: C12H17N2O2S- MolecularWeight: 253.34058

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC(=C1C(=O)[O-])C)C(C)C

Isomeric SMILES

CCCSC1=NC(=NC(=C1C(=O)[O-])C)C(C)C

InChI

InChI=1S/C12H18N2O2S/c1-5-6-17-11-9(12(15)16)8(4)13-10(14-11)7(2)3/h7H,5-6H2,1-4H3,(H,15,16)/p-1