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

Systemtic Name: 1-methyl-3-(2-methylpropyl)-8-propyl-7H-purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-8-propyl-7H-purine-2,6-dione CAS Name: 1-methyl-3-(2-methylpropyl)-8-propyl-7H-purine-2,6-dione IUPAC Name: 1-methyl-3-(2-methylpropyl)-8-propyl-7H-purine-2,6-dione Traditional Name: 3-isobutyl-1-methyl-8-propyl-7H-purine-2,6-quinone Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CCCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C13H20N4O2/c1-5-6-9-14-10-11(15-9)17(7-8(2)3)13(19)16(4)12(10)18/h8H,5-7H2,1-4H3,(H,14,15)