3-methyl-1-(4-oxidanylidenepentyl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-(4-oxidanylidenepentyl)-7H-purine-2,6-dione Openeye Name: 3-methyl-1-(4-oxopentyl)-7H-purine-2,6-dione CAS Name: 3-methyl-1-(4-oxopentyl)-7H-purine-2,6-dione IUPAC Name: 3-methyl-1-(4-oxopentyl)-7H-purine-2,6-dione Traditional Name: 1-(4-ketopentyl)-3-methyl-7H-purine-2,6-quinone Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1C(=O)C2=C(N=CN2)N(C1=O)C

Isomeric SMILES

CC(=O)CCCN1C(=O)C2=C(N=CN2)N(C1=O)C

InChI

InChI=1S/C11H14N4O3/c1-7(16)4-3-5-15-10(17)8-9(13-6-12-8)14(2)11(15)18/h6H,3-5H2,1-2H3,(H,12,13)