8-[2-(methoxymethyl)-3-methyl-butyl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[2-(methoxymethyl)-3-methyl-butyl]-3,7-dihydropurine-2,6-dione Openeye Name: 8-[2-(methoxymethyl)-3-methyl-butyl]-3,7-dihydropurine-2,6-dione CAS Name: 8-[2-(methoxymethyl)-3-methylbutyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[2-(methoxymethyl)-3-methylbutyl]-3,7-dihydropurine-2,6-dione Traditional Name: 8-[2-(methoxymethyl)-3-methyl-butyl]-7H-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=NC2=C(N1)C(=O)NC(=O)N2)COC

Isomeric SMILES

CC(C)C(CC1=NC2=C(N1)C(=O)NC(=O)N2)COC

InChI

InChI=1S/C12H18N4O3/c1-6(2)7(5-19-3)4-8-13-9-10(14-8)15-12(18)16-11(9)17/h6-7H,4-5H2,1-3H3,(H3,13,14,15,16,17,18)