2-[9-(5-ethyl-3,4-dimethyl-oxolan-2-yl)-6-(methylamino)purin-2-yl]ethanenitrile

Systemtic Name: 2-[9-(5-ethyl-3,4-dimethyl-oxolan-2-yl)-6-(methylamino)purin-2-yl]ethanenitrile Openeye Name: 2-[9-(5-ethyl-3,4-dimethyl-tetrahydrofuran-2-yl)-6-(methylamino)purin-2-yl]acetonitrile CAS Name: 2-[9-(5-ethyl-3,4-dimethyl-2-oxolanyl)-6-(methylamino)-2-purinyl]acetonitrile IUPAC Name: 2-[9-(5-ethyl-3,4-dimethyloxolan-2-yl)-6-(methylamino)purin-2-yl]acetonitrile Traditional Name: 2-[9-(5-ethyl-3,4-dimethyl-tetrahydrofuran-2-yl)-6-(methylamino)purin-2-yl]acetonitrile Formula: C16H22N6O MolecularWeight: 314.38548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC)CC#N)C)C

Isomeric SMILES

CCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NC)CC#N)C)C

InChI

InChI=1S/C16H22N6O/c1-5-11-9(2)10(3)16(23-11)22-8-19-13-14(18-4)20-12(6-7-17)21-15(13)22/h8-11,16H,5-6H2,1-4H3,(H,18,20,21)