8-ethyl-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name: 8-ethyl-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 8-ethyl-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-ethyl-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 8-ethyl-9-(4-methoxyphenyl)-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [6-amino-8-ethyl-9-(4-methoxyphenyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C23H26N6O MolecularWeight: 402.49214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3=CC=C(C=C3)OC)N=C(N=C2N)NCCCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=C(N1C3=CC=C(C=C3)OC)N=C(N=C2N)NCCCC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O/c1-3-19-26-20-21(24)27-23(25-15-7-10-16-8-5-4-6-9-16)28-22(20)29(19)17-11-13-18(30-2)14-12-17/h4-6,8-9,11-14H,3,7,10,15H2,1-2H3,(H3,24,25,27,28)