6-(1-phenylethylamino)-9-(phenylmethyl)-7,8-dihydropurine-2-carbonitrile

Systemtic Name: 6-(1-phenylethylamino)-9-(phenylmethyl)-7,8-dihydropurine-2-carbonitrile Openeye Name: 9-benzyl-6-(1-phenylethylamino)-7,8-dihydropurine-2-carbonitrile CAS Name: 6-(1-phenylethylamino)-9-(phenylmethyl)-7,8-dihydropurine-2-carbonitrile IUPAC Name: 9-benzyl-6-(1-phenylethylamino)-7,8-dihydropurine-2-carbonitrile Traditional Name: 9-benzyl-6-(1-phenylethylamino)-7,8-dihydropurine-2-carbonitrile Formula: C21H20N6 MolecularWeight: 356.4237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC(=NC3=C2NCN3CC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC(=NC3=C2NCN3CC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H20N6/c1-15(17-10-6-3-7-11-17)24-20-19-21(26-18(12-22)25-20)27(14-23-19)13-16-8-4-2-5-9-16/h2-11,15,23H,13-14H2,1H3,(H,24,25,26)