9-butyl-6-[(3-methylphenyl)methylamino]purine-2-carbonitrile

Systemtic Name: 9-butyl-6-[(3-methylphenyl)methylamino]purine-2-carbonitrile Openeye Name: 9-butyl-6-(m-tolylmethylamino)purine-2-carbonitrile CAS Name: 9-butyl-6-[(3-methylphenyl)methylamino]-2-purinecarbonitrile IUPAC Name: 9-butyl-6-[(3-methylphenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-butyl-6-[(3-methylbenzyl)amino]purine-2-carbonitrile Formula: C18H20N6 MolecularWeight: 320.3916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6/c1-3-4-8-24-12-21-16-17(22-15(10-19)23-18(16)24)20-11-14-7-5-6-13(2)9-14/h5-7,9,12H,3-4,8,11H2,1-2H3,(H,20,22,23)