3,7-dimethyl-8-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(5-oxohexyl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-(5-oxohexyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(5-oxohexyl)purine-2,6-dione Traditional Name: 8-(5-ketohexyl)-3,7-dimethyl-xanthine Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=O)CCCCC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H18N4O3/c1-8(18)6-4-5-7-9-14-11-10(16(9)2)12(19)15-13(20)17(11)3/h4-7H2,1-3H3,(H,15,19,20)