9-butyl-6-(phenethylamino)purine-2-carbonitrile

Systemtic Name: 9-butyl-6-(phenethylamino)purine-2-carbonitrile Openeye Name: 9-butyl-6-(phenethylamino)purine-2-carbonitrile CAS Name: 9-butyl-6-(phenethylamino)-2-purinecarbonitrile IUPAC Name: 9-butyl-6-(phenethylamino)purine-2-carbonitrile Traditional Name: 9-butyl-6-(phenethylamino)purine-2-carbonitrile Formula: C18H20N6 MolecularWeight: 320.3916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2NCCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2NCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H20N6/c1-2-3-11-24-13-21-16-17(22-15(12-19)23-18(16)24)20-10-9-14-7-5-4-6-8-14/h4-8,13H,2-3,9-11H2,1H3,(H,20,22,23)