2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-[2-(homoveratrylamino)pyrimidin-4-yl]acetonitrile Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=CC(=N2)CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=CC(=N2)CC#N)OC

InChI

InChI=1S/C16H18N4O2/c1-21-14-4-3-12(11-15(14)22-2)6-9-18-16-19-10-7-13(20-16)5-8-17/h3-4,7,10-11H,5-6,9H2,1-2H3,(H,18,19,20)