2-(4-azanylbutylamino)-9-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7H-purin-8-one

Systemtic Name: 2-(4-azanylbutylamino)-9-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7H-purin-8-one Openeye Name: 2-(4-aminobutylamino)-9-[(2-chloro-6-fluoro-phenyl)methyl]-7H-purin-8-one CAS Name: 2-(4-aminobutylamino)-9-[(2-chloro-6-fluorophenyl)methyl]-7H-purin-8-one IUPAC Name: 2-(4-aminobutylamino)-9-[(2-chloro-6-fluorophenyl)methyl]-7H-purin-8-one Traditional Name: 2-(4-aminobutylamino)-9-(2-chloro-6-fluoro-benzyl)-7H-purin-8-one Formula: C16H18ClFN6O MolecularWeight: 364.805123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN2C3=NC(=NC=C3NC2=O)NCCCCN)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN2C3=NC(=NC=C3NC2=O)NCCCCN)F

InChI

InChI=1S/C16H18ClFN6O/c17-11-4-3-5-12(18)10(11)9-24-14-13(22-16(24)25)8-21-15(23-14)20-7-2-1-6-19/h3-5,8H,1-2,6-7,9,19H2,(H,22,25)(H,20,21,23)