3,9-dimethyl-1-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 3,9-dimethyl-1-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 3,9-dimethyl-1-(5-oxohexyl)purine-2,6-dione CAS Name: 3,9-dimethyl-1-(5-oxohexyl)purine-2,6-dione IUPAC Name: 3,9-dimethyl-1-(5-oxohexyl)purine-2,6-dione Traditional Name: 1-(5-ketohexyl)-3,9-dimethyl-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(N(C=N2)C)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(N(C=N2)C)N(C1=O)C

InChI

InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(15(2)8-14-10)16(3)13(17)20/h8H,4-7H2,1-3H3