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2-[3-[9-(oxan-2-yl)purin-6-yl]phenyl]ethanenitrile

2-[3-[9-(oxan-2-yl)purin-6-yl]phenyl]ethanenitrile

Systemtic Name:2-[3-[9-(oxan-2-yl)purin-6-yl]phenyl]ethanenitrile
Openeye Name:2-[3-(9-tetrahydropyran-2-ylpurin-6-yl)phenyl]acetonitrile
CAS Name:2-[3-[9-(2-oxanyl)-6-purinyl]phenyl]acetonitrile
IUPAC Name:2-[3-[9-(oxan-2-yl)purin-6-yl]phenyl]acetonitrile
Traditional Name:2-[3-(9-tetrahydropyran-2-ylpurin-6-yl)phenyl]acetonitrile
Formula: C18H17N5O
MolecularWeight: 319.36048
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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C(N=CN=C32)C4=CC(=CC=C4)CC#N


Isomeric SMILES

C1CCOC(C1)N2C=NC3=C(N=CN=C32)C4=CC(=CC=C4)CC#N


InChI

InChI=1S/C18H17N5O/c19-8-7-13-4-3-5-14(10-13)16-17-18(21-11-20-16)23(12-22-17)15-6-1-2-9-24-15/h3-5,10-12,15H,1-2,6-7,9H2


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