2-[3-[(6-azanyl-2-butoxy-purin-9-yl)methyl]phenyl]ethanenitrile

Systemtic Name: 2-[3-[(6-azanyl-2-butoxy-purin-9-yl)methyl]phenyl]ethanenitrile Openeye Name: 2-[3-[(6-amino-2-butoxy-purin-9-yl)methyl]phenyl]acetonitrile CAS Name: 2-[3-[(6-amino-2-butoxy-9-purinyl)methyl]phenyl]acetonitrile IUPAC Name: 2-[3-[(6-amino-2-butoxypurin-9-yl)methyl]phenyl]acetonitrile Traditional Name: 2-[3-[(6-amino-2-butoxy-purin-9-yl)methyl]phenyl]acetonitrile Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC#N

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC#N

InChI

InChI=1S/C18H20N6O/c1-2-3-9-25-18-22-16(20)15-17(23-18)24(12-21-15)11-14-6-4-5-13(10-14)7-8-19/h4-6,10,12H,2-3,7,9,11H2,1H3,(H2,20,22,23)