N-[4-[(6-aminopurin-9-yl)methyl]phenyl]-2-bromanyl-ethanamide

Systemtic Name: N-[4-[(6-aminopurin-9-yl)methyl]phenyl]-2-bromanyl-ethanamide Openeye Name: N-[4-[(6-aminopurin-9-yl)methyl]phenyl]-2-bromo-acetamide CAS Name: N-[4-[(6-aminopurin-9-yl)methyl]phenyl]-2-bromoacetamide IUPAC Name: N-[4-[(6-aminopurin-9-yl)methyl]phenyl]-2-bromoacetamide Traditional Name: N-[4-(adenin-9-ylmethyl)phenyl]-2-bromo-acetamide Formula: C14H13BrN6O MolecularWeight: 361.19662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3N)NC(=O)CBr

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3N)NC(=O)CBr

InChI

InChI=1S/C14H13BrN6O/c15-5-11(22)20-10-3-1-9(2-4-10)6-21-8-19-12-13(16)17-7-18-14(12)21/h1-4,7-8H,5-6H2,(H,20,22)(H2,16,17,18)