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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-isoamyl-3-methyl-xanthine Formula: C14H20N4O3S MolecularWeight: 324.3986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H20N4O3S/c1-8(2)5-6-18-10-11(15-14(18)22-7-9(3)19)17(4)13(21)16-12(10)20/h8H,5-7H2,1-4H3,(H,16,20,21)