6-(phenethylamino)-9-(phenylmethyl)-7,8-dihydropurine-2-carbonitrile

Systemtic Name: 6-(phenethylamino)-9-(phenylmethyl)-7,8-dihydropurine-2-carbonitrile Openeye Name: 9-benzyl-6-(phenethylamino)-7,8-dihydropurine-2-carbonitrile CAS Name: 6-(phenethylamino)-9-(phenylmethyl)-7,8-dihydropurine-2-carbonitrile IUPAC Name: 9-benzyl-6-(phenethylamino)-7,8-dihydropurine-2-carbonitrile Traditional Name: 9-benzyl-6-(phenethylamino)-7,8-dihydropurine-2-carbonitrile Formula: C21H20N6 MolecularWeight: 356.4237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CC3=CC=CC=C3)N=C(N=C2NCCC4=CC=CC=C4)C#N

Isomeric SMILES

C1NC2=C(N1CC3=CC=CC=C3)N=C(N=C2NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H20N6/c22-13-18-25-20(23-12-11-16-7-3-1-4-8-16)19-21(26-18)27(15-24-19)14-17-9-5-2-6-10-17/h1-10,24H,11-12,14-15H2,(H,23,25,26)