6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexanal

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexanal Openeye Name: 6-(3,7-dimethyl-2,6-dioxo-purin-1-yl)hexanal CAS Name: 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexanal IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexanal Traditional Name: 6-(2,6-diketo-3,7-dimethyl-purin-1-yl)hexanal Formula: C13H18N4O3 MolecularWeight: 278.30702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCC=O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCC=O

InChI

InChI=1S/C13H18N4O3/c1-15-9-14-11-10(15)12(19)17(13(20)16(11)2)7-5-3-4-6-8-18/h8-9H,3-7H2,1-2H3