4-[2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzonitrile CAS Name: 4-[2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzonitrile Traditional Name: 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzonitrile Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N4O3/c1-25-17-10-15(11-18(26-2)19(17)27-3)23-20-22-9-8-16(24-20)14-6-4-13(12-21)5-7-14/h4-11H,1-3H3,(H,22,23,24)