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

Systemtic Name: 9-butyl-6-(1-phenylethylamino)-7,8-dihydropurine-2-carbonitrile Openeye Name: 9-butyl-6-(1-phenylethylamino)-7,8-dihydropurine-2-carbonitrile CAS Name: 9-butyl-6-(1-phenylethylamino)-7,8-dihydropurine-2-carbonitrile IUPAC Name: 9-butyl-6-(1-phenylethylamino)-7,8-dihydropurine-2-carbonitrile Traditional Name: 9-butyl-6-(1-phenylethylamino)-7,8-dihydropurine-2-carbonitrile Formula: C18H22N6 MolecularWeight: 322.40748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CNC2=C1N=C(N=C2NC(C)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCN1CNC2=C1N=C(N=C2NC(C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H22N6/c1-3-4-10-24-12-20-16-17(22-15(11-19)23-18(16)24)21-13(2)14-8-6-5-7-9-14/h5-9,13,20H,3-4,10,12H2,1-2H3,(H,21,22,23)