2-butyl-4,7-dimethyl-6H-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-butyl-4,7-dimethyl-6H-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-4,7-dimethyl-6H-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-4,7-dimethyl-6H-purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-4,7-dimethyl-6H-purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-4,7-dimethyl-6H-purin[7,8-a]imidazole-1,3-quinone Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2C=C(N3)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C=C(N3)C)N(C1=O)C

InChI

InChI=1S/C13H17N5O2/c1-4-5-6-17-11(19)9-10(16(3)13(17)20)15-12-14-8(2)7-18(9)12/h7H,4-6H2,1-3H3,(H,14,15)