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

Systemtic Name: 1-methyl-3-(2-methylpropyl)-8-(3-oxidanylpropyl)-7H-purine-2,6-dione Openeye Name: 8-(3-hydroxypropyl)-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-(3-hydroxypropyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-(3-hydroxypropyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(3-hydroxypropyl)-3-isobutyl-1-methyl-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)C)NC(=N2)CCCO

Isomeric SMILES

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

InChI

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