2-[4-[[(5-chloranyl-6-ethyl-pyrimidin-4-yl)-ethyl-amino]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[(5-chloranyl-6-ethyl-pyrimidin-4-yl)-ethyl-amino]methyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[[(5-chloro-6-ethyl-pyrimidin-4-yl)-ethyl-amino]methyl]phenoxy]acetonitrile CAS Name: 2-[4-[[(5-chloro-6-ethyl-4-pyrimidinyl)-ethylamino]methyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[[(5-chloro-6-ethylpyrimidin-4-yl)-ethylamino]methyl]phenoxy]acetonitrile Traditional Name: 2-[4-[[(5-chloro-6-ethyl-pyrimidin-4-yl)-ethyl-amino]methyl]phenoxy]acetonitrile Formula: C17H19ClN4O MolecularWeight: 330.81196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)N(CC)CC2=CC=C(C=C2)OCC#N)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)N(CC)CC2=CC=C(C=C2)OCC#N)Cl

InChI

InChI=1S/C17H19ClN4O/c1-3-15-16(18)17(21-12-20-15)22(4-2)11-13-5-7-14(8-6-13)23-10-9-19/h5-8,12H,3-4,10-11H2,1-2H3