3-butyl-1-methyl-7H-purine-2,6-dione

Systemtic Name: 3-butyl-1-methyl-7H-purine-2,6-dione Openeye Name: 3-butyl-1-methyl-7H-purine-2,6-dione CAS Name: 3-butyl-1-methyl-7H-purine-2,6-dione IUPAC Name: 3-butyl-1-methyl-7H-purine-2,6-dione Traditional Name: 3-butyl-1-methyl-7H-purine-2,6-quinone Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)NC=N2

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)NC=N2

InChI

InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)