2-methylsulfanyl-4-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylsulfanyl-4-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: 4-isopropyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-propan-2-yl-5-pyrimidinecarboxylate IUPAC Name: 2-methylsulfanyl-4-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-isopropyl-2-(methylthio)pyrimidine-5-carboxylate Formula: C9H11N2O2S- MolecularWeight: 211.26084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC=C1C(=O)[O-])SC

Isomeric SMILES

CC(C)C1=NC(=NC=C1C(=O)[O-])SC

InChI

InChI=1S/C9H12N2O2S/c1-5(2)7-6(8(12)13)4-10-9(11-7)14-3/h4-5H,1-3H3,(H,12,13)/p-1