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

Systemtic Name: 2-cyclopropyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 2-cyclopropyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopropyl-4-methyl-6-(phenethylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-cyclopropyl-4-methyl-6-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-cyclopropyl-4-methyl-6-(phenethylthio)pyrimidine-5-carboxylate Formula: C17H17N2O2S- MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C17H18N2O2S/c1-11-14(17(20)21)16(19-15(18-11)13-7-8-13)22-10-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,20,21)/p-1