3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzonitrile CAS Name: 3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzonitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=NC(=NC(=C2)C3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=NC(=NC(=C2)C3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C21H20N4O2/c1-26-18-8-6-15(7-9-18)10-11-23-20-13-19(24-21(25-20)27-2)17-5-3-4-16(12-17)14-22/h3-9,12-13H,10-11H2,1-2H3,(H,23,24,25)