methyl (2R)-2-[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]sulfanylpropanoate

Systemtic Name: methyl (2R)-2-[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylpropanoate CAS Name: (2R)-2-[[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-8-purinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[2,6-diketo-3-methyl-7-(3-phenylpropyl)purin-8-yl]thio]propionic acid methyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H22N4O4S/c1-12(17(25)27-3)28-19-20-15-14(16(24)21-18(26)22(15)2)23(19)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,21,24,26)/t12-/m1/s1