3-butyl-7H-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)NC=N2

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)NC=N2

InChI

InChI=1S/C9H12N4O2/c1-2-3-4-13-7-6(10-5-11-7)8(14)12-9(13)15/h5H,2-4H2,1H3,(H,10,11)(H,12,14,15)