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

Systemtic Name: 3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 3-isobutyl-7H-purine-2,6-dione CAS Name: 3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 3-isobutyl-7H-purine-2,6-quinone Formula: C9H12N4O2 MolecularWeight: 208.21718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)NC=N2

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)NC=N2

InChI

InChI=1S/C9H12N4O2/c1-5(2)3-13-7-6(10-4-11-7)8(14)12-9(13)15/h4-5H,3H2,1-2H3,(H,10,11)(H,12,14,15)