3-methyl-8-(2-oxidanylidenepropylsulfanyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-oxidanylidenepropylsulfanyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-benzyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-oxopropylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-benzyl-3-methyl-xanthine Formula: C16H16N4O3S MolecularWeight: 344.38824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H16N4O3S/c1-10(21)9-24-16-17-13-12(14(22)18-15(23)19(13)2)20(16)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,18,22,23)