9-butyl-6-[(phenylmethyl)amino]purine-2-carbonitrile

Systemtic Name: 9-butyl-6-[(phenylmethyl)amino]purine-2-carbonitrile Openeye Name: 6-(benzylamino)-9-butyl-purine-2-carbonitrile CAS Name: 9-butyl-6-[(phenylmethyl)amino]-2-purinecarbonitrile IUPAC Name: 6-(benzylamino)-9-butylpurine-2-carbonitrile Traditional Name: 6-(benzylamino)-9-butyl-purine-2-carbonitrile Formula: C17H18N6 MolecularWeight: 306.36502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H18N6/c1-2-3-9-23-12-20-15-16(21-14(10-18)22-17(15)23)19-11-13-7-5-4-6-8-13/h4-8,12H,2-3,9,11H2,1H3,(H,19,21,22)