5-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]pentanal

Systemtic Name: 5-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]pentanal Openeye Name: 5-(3-methyl-2,6-dioxo-7-propyl-purin-1-yl)pentanal CAS Name: 5-(3-methyl-2,6-dioxo-7-propyl-1-purinyl)pentanal IUPAC Name: 5-(3-methyl-2,6-dioxo-7-propylpurin-1-yl)pentanal Traditional Name: 5-(2,6-diketo-3-methyl-7-propyl-purin-1-yl)valeraldehyde Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC=O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC=O

InChI

InChI=1S/C14H20N4O3/c1-3-7-17-10-15-12-11(17)13(20)18(14(21)16(12)2)8-5-4-6-9-19/h9-10H,3-8H2,1-2H3