2-azanyl-9-octyl-3H-purin-6-one

Systemtic Name: 2-azanyl-9-octyl-3H-purin-6-one Openeye Name: 2-amino-9-octyl-3H-purin-6-one CAS Name: 2-amino-9-octyl-3H-purin-6-one IUPAC Name: 2-amino-9-octyl-3H-purin-6-one Traditional Name: 2-amino-9-octyl-3H-purin-6-one Formula: C13H21N5O MolecularWeight: 263.33874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C13H21N5O/c1-2-3-4-5-6-7-8-18-9-15-10-11(18)16-13(14)17-12(10)19/h9H,2-8H2,1H3,(H3,14,16,17,19)