3,7-dimethyl-1-(5-oxidanylidenehexyl)-9H-purine-2,6,8-trione

Systemtic Name: 3,7-dimethyl-1-(5-oxidanylidenehexyl)-9H-purine-2,6,8-trione Openeye Name: 3,7-dimethyl-1-(5-oxohexyl)-9H-purine-2,6,8-trione CAS Name: 3,7-dimethyl-1-(5-oxohexyl)-9H-purine-2,6,8-trione IUPAC Name: 3,7-dimethyl-1-(5-oxohexyl)-9H-purine-2,6,8-trione Traditional Name: 1-(5-ketohexyl)-3,7-dimethyl-9H-purine-2,6,8-trione Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(NC(=O)N2C)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(NC(=O)N2C)N(C1=O)C

InChI

InChI=1S/C13H18N4O4/c1-8(18)6-4-5-7-17-11(19)9-10(16(3)13(17)21)14-12(20)15(9)2/h4-7H2,1-3H3,(H,14,20)