8-methyl-3-(2-methylpropyl)-1-(3-oxidanylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-methyl-3-(2-methylpropyl)-1-(3-oxidanylpropyl)-7H-purine-2,6-dione Openeye Name: 1-(3-hydroxypropyl)-3-isobutyl-8-methyl-7H-purine-2,6-dione CAS Name: 1-(3-hydroxypropyl)-8-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 1-(3-hydroxypropyl)-8-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 1-(3-hydroxypropyl)-3-isobutyl-8-methyl-7H-purine-2,6-quinone Formula: C13H20N4O3 MolecularWeight: 280.3229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)CCCO

Isomeric SMILES

CC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)CCCO

InChI

InChI=1S/C13H20N4O3/c1-8(2)7-17-11-10(14-9(3)15-11)12(19)16(13(17)20)5-4-6-18/h8,18H,4-7H2,1-3H3,(H,14,15)