ethyl 2-(6-methyl-7-phenyl-purin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(6-methyl-7-phenyl-purin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(6-methyl-7-phenyl-purin-2-yl)sulfanylacetate CAS Name: 2-[(6-methyl-7-phenyl-2-purinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-methyl-7-phenylpurin-2-yl)sulfanylacetate Traditional Name: 2-[(6-methyl-7-phenyl-purin-2-yl)thio]acetic acid ethyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C2C(=N1)N=CN2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C2C(=N1)N=CN2C3=CC=CC=C3)C

InChI

InChI=1S/C16H16N4O2S/c1-3-22-13(21)9-23-16-18-11(2)14-15(19-16)17-10-20(14)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3