8-bromanyl-N6-ethyl-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-N6-ethyl-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 8-bromo-N6-ethyl-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-bromo-N6-ethyl-9-(4-methoxyphenyl)-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 8-bromo-6-N-ethyl-9-(4-methoxyphenyl)-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [8-bromo-6-(ethylamino)-9-(4-methoxyphenyl)purin-2-yl]-(3-phenylpropyl)amine Formula: C23H25BrN6O MolecularWeight: 481.3882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=C(N2C3=CC=C(C=C3)OC)Br)NCCCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC2=C1N=C(N2C3=CC=C(C=C3)OC)Br)NCCCC4=CC=CC=C4

InChI

InChI=1S/C23H25BrN6O/c1-3-25-20-19-21(30(22(24)27-19)17-11-13-18(31-2)14-12-17)29-23(28-20)26-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-14H,3,7,10,15H2,1-2H3,(H2,25,26,28,29)