8-bromanyl-9-[(E)-hept-4-enyl]-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-9-[(E)-hept-4-enyl]-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 8-bromo-9-[(E)-hept-4-enyl]-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-bromo-9-[(E)-hept-4-enyl]-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 8-bromo-9-[(E)-hept-4-enyl]-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[(E)-hept-4-enyl]purin-2-yl]-(3-phenylpropyl)amine Formula: C21H27BrN6 MolecularWeight: 443.38328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CC/C=C/CCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C21H27BrN6/c1-2-3-4-5-9-15-28-19-17(25-20(28)22)18(23)26-21(27-19)24-14-10-13-16-11-7-6-8-12-16/h3-4,6-8,11-12H,2,5,9-10,13-15H2,1H3,(H3,23,24,26,27)/b4-3+