3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-[(2,4-dimethoxyphenyl)methylamino]-2-pyrimidinyl]benzonitrile IUPAC Name: 3-[4-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-[(2,4-dimethoxybenzyl)amino]pyrimidin-2-yl]benzonitrile Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC2=NC(=NC=C2)C3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC2=NC(=NC=C2)C3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C20H18N4O2/c1-25-17-7-6-16(18(11-17)26-2)13-23-19-8-9-22-20(24-19)15-5-3-4-14(10-15)12-21/h3-11H,13H2,1-2H3,(H,22,23,24)