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

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: 2-(4-bromophenyl)-4-methyl-6-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 2-(4-bromophenyl)-4-methyl-6-[[(2R)-2-oxolanyl]methylthio]-5-pyrimidinecarboxylate IUPAC Name: 2-(4-bromophenyl)-4-methyl-6-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 2-(4-bromophenyl)-4-methyl-6-[[(2R)-tetrahydrofuran-2-yl]methylthio]pyrimidine-5-carboxylate Formula: C17H16BrN2O3S- MolecularWeight: 408.28954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O3S/c1-10-14(17(21)22)16(24-9-13-3-2-8-23-13)20-15(19-10)11-4-6-12(18)7-5-11/h4-7,13H,2-3,8-9H2,1H3,(H,21,22)/p-1/t13-/m1/s1