3-[6-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[6-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[6-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzonitrile CAS Name: 3-[6-[(2,4-dimethoxyphenyl)methylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[6-[(2,4-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 3-[6-[(2,4-dimethoxybenzyl)amino]pyrimidin-4-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(19(9-17)26-2)12-22-20-10-18(23-13-24-20)15-5-3-4-14(8-15)11-21/h3-10,13H,12H2,1-2H3,(H,22,23,24)