8-bromanyl-9-decyl-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-9-decyl-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 8-bromo-9-decyl-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-bromo-9-decyl-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 8-bromo-9-decyl-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: (6-amino-8-bromo-9-decyl-purin-2-yl)-(3-phenylpropyl)amine Formula: C24H35BrN6 MolecularWeight: 487.4789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CCCCCCCCCCN1C2=C(C(=NC(=N2)NCCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C24H35BrN6/c1-2-3-4-5-6-7-8-12-18-31-22-20(28-23(31)25)21(26)29-24(30-22)27-17-13-16-19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-18H2,1H3,(H3,26,27,29,30)