6-azanyl-9-heptyl-7H-purin-8-one

Systemtic Name: 6-azanyl-9-heptyl-7H-purin-8-one Openeye Name: 6-amino-9-heptyl-7H-purin-8-one CAS Name: 6-amino-9-heptyl-7H-purin-8-one IUPAC Name: 6-amino-9-heptyl-7H-purin-8-one Traditional Name: 6-amino-9-heptyl-7H-purin-8-one Formula: C12H19N5O MolecularWeight: 249.31216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C(=NC=N2)N)NC1=O

Isomeric SMILES

CCCCCCCN1C2=C(C(=NC=N2)N)NC1=O

InChI

InChI=1S/C12H19N5O/c1-2-3-4-5-6-7-17-11-9(16-12(17)18)10(13)14-8-15-11/h8H,2-7H2,1H3,(H,16,18)(H2,13,14,15)