2-[4-[9-(oxan-2-yl)purin-6-yl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[9-(oxan-2-yl)purin-6-yl]phenyl]ethanenitrile Openeye Name: 2-[4-(9-tetrahydropyran-2-ylpurin-6-yl)phenyl]acetonitrile CAS Name: 2-[4-[9-(2-oxanyl)-6-purinyl]phenyl]acetonitrile IUPAC Name: 2-[4-[9-(oxan-2-yl)purin-6-yl]phenyl]acetonitrile Traditional Name: 2-[4-(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=C(C=C4)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O/c19-9-8-13-4-6-14(7-5-13)16-17-18(21-11-20-16)23(12-22-17)15-3-1-2-10-24-15/h4-7,11-12,15H,1-3,8,10H2