N-[(E)-(3-bromophenyl)methylideneamino]-7H-purin-6-amine

Systemtic Name: N-[(E)-(3-bromophenyl)methylideneamino]-7H-purin-6-amine Openeye Name: N-[(E)-(3-bromophenyl)methyleneamino]-7H-purin-6-amine CAS Name: N-[(E)-(3-bromophenyl)methylideneamino]-7H-purin-6-amine IUPAC Name: N-[(E)-(3-bromophenyl)methylideneamino]-7H-purin-6-amine Traditional Name: [(E)-(3-bromobenzylidene)amino]-(7H-purin-6-yl)amine Formula: C12H9BrN6 MolecularWeight: 317.14406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=NNC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=N/NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H9BrN6/c13-9-3-1-2-8(4-9)5-18-19-12-10-11(15-6-14-10)16-7-17-12/h1-7H,(H2,14,15,16,17,19)/b18-5+