3-[6-[(3,4-dimethoxyphenyl)methoxyamino]purin-9-yl]propanenitrile

Systemtic Name: 3-[6-[(3,4-dimethoxyphenyl)methoxyamino]purin-9-yl]propanenitrile Openeye Name: 3-[6-[(3,4-dimethoxyphenyl)methoxyamino]purin-9-yl]propanenitrile CAS Name: 3-[6-[(3,4-dimethoxyphenyl)methoxyamino]-9-purinyl]propanenitrile IUPAC Name: 3-[6-[(3,4-dimethoxyphenyl)methoxyamino]purin-9-yl]propanenitrile Traditional Name: 3-[6-(veratryloxyamino)purin-9-yl]propionitrile Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CONC2=NC=NC3=C2N=CN3CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CONC2=NC=NC3=C2N=CN3CCC#N)OC

InChI

InChI=1S/C17H18N6O3/c1-24-13-5-4-12(8-14(13)25-2)9-26-22-16-15-17(20-10-19-16)23(11-21-15)7-3-6-18/h4-5,8,10-11H,3,7,9H2,1-2H3,(H,19,20,22)