2-[3-[(6-azanyl-2-butoxy-purin-9-yl)methyl]-4-methoxy-phenyl]ethanenitrile

Systemtic Name: 2-[3-[(6-azanyl-2-butoxy-purin-9-yl)methyl]-4-methoxy-phenyl]ethanenitrile Openeye Name: 2-[3-[(6-amino-2-butoxy-purin-9-yl)methyl]-4-methoxy-phenyl]acetonitrile CAS Name: 2-[3-[(6-amino-2-butoxy-9-purinyl)methyl]-4-methoxyphenyl]acetonitrile IUPAC Name: 2-[3-[(6-amino-2-butoxypurin-9-yl)methyl]-4-methoxyphenyl]acetonitrile Traditional Name: 2-[3-[(6-amino-2-butoxy-purin-9-yl)methyl]-4-methoxy-phenyl]acetonitrile Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O2/c1-3-4-9-27-19-23-17(21)16-18(24-19)25(12-22-16)11-14-10-13(7-8-20)5-6-15(14)26-2/h5-6,10,12H,3-4,7,9,11H2,1-2H3,(H2,21,23,24)