2-azanyl-9-butyl-6-chloranyl-7H-purin-8-one

Systemtic Name: 2-azanyl-9-butyl-6-chloranyl-7H-purin-8-one Openeye Name: 2-amino-9-butyl-6-chloro-7H-purin-8-one CAS Name: 2-amino-9-butyl-6-chloro-7H-purin-8-one IUPAC Name: 2-amino-9-butyl-6-chloro-7H-purin-8-one Traditional Name: 2-amino-9-butyl-6-chloro-7H-purin-8-one Formula: C9H12ClN5O MolecularWeight: 241.67748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC(=N2)N)Cl)NC1=O

Isomeric SMILES

CCCCN1C2=C(C(=NC(=N2)N)Cl)NC1=O

InChI

InChI=1S/C9H12ClN5O/c1-2-3-4-15-7-5(12-9(15)16)6(10)13-8(11)14-7/h2-4H2,1H3,(H,12,16)(H2,11,13,14)