(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H20N6O2S/c1-12-15(13(2)20-18(19-12)27-3)9-10-17(25)26-11-16-21-22-23-24(16)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3