5-[3,4,7-trimethyl-2,6-bis(oxidanylidene)-5H-purin-1-yl]pentanal

Systemtic Name: 5-[3,4,7-trimethyl-2,6-bis(oxidanylidene)-5H-purin-1-yl]pentanal Openeye Name: 5-(3,4,7-trimethyl-2,6-dioxo-5H-purin-1-yl)pentanal CAS Name: 5-(3,4,7-trimethyl-2,6-dioxo-5H-purin-1-yl)pentanal IUPAC Name: 5-(3,4,7-trimethyl-2,6-dioxo-5H-purin-1-yl)pentanal Traditional Name: 5-(2,6-diketo-3,4,7-trimethyl-5H-purin-1-yl)valeraldehyde Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(=O)N(C(=O)N1C)CCCCC=O)N(C=N2)C

Isomeric SMILES

CC12C(C(=O)N(C(=O)N1C)CCCCC=O)N(C=N2)C

InChI

InChI=1S/C13H20N4O3/c1-13-10(15(2)9-14-13)11(19)17(12(20)16(13)3)7-5-4-6-8-18/h8-10H,4-7H2,1-3H3