3-(2-methylpropyl)-1-(3-oxidanylbutyl)-7H-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CCC(C)O)NC=N2

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CCC(C)O)NC=N2

InChI

InChI=1S/C13H20N4O3/c1-8(2)6-17-11-10(14-7-15-11)12(19)16(13(17)20)5-4-9(3)18/h7-9,18H,4-6H2,1-3H3,(H,14,15)