4-methyl-6-[[(2R)-oxolan-2-yl]methylsulfanyl]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 4-methyl-6-[[(2R)-oxolan-2-yl]methylsulfanyl]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 4-methyl-2-phenyl-6-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[(2R)-2-oxolanyl]methylthio]-2-phenyl-5-pyrimidinecarboxylate IUPAC Name: 4-methyl-6-[[(2R)-oxolan-2-yl]methylsulfanyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-2-phenyl-6-[[(2R)-tetrahydrofuran-2-yl]methylthio]pyrimidine-5-carboxylate Formula: C17H17N2O3S- MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3CCCO3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SC[C@H]3CCCO3)C(=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c1-11-14(17(20)21)16(23-10-13-8-5-9-22-13)19-15(18-11)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,20,21)/p-1/t13-/m1/s1