N-[5-cyano-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-2-(2-iodanylphenyl)ethanamide

Systemtic Name: N-[5-cyano-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-2-(2-iodanylphenyl)ethanamide Openeye Name: N-[5-cyano-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-2-(2-iodophenyl)acetamide CAS Name: N-[5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyrimidinyl]-2-(2-iodophenyl)acetamide IUPAC Name: N-[5-cyano-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-2-(2-iodophenyl)acetamide Traditional Name: N-[5-cyano-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-2-(2-iodophenyl)acetamide Formula: C22H19IN4O4 MolecularWeight: 530.31513

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=NC=C2C#N)NC(=O)CC3=CC=CC=C3I

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=NC=C2C#N)NC(=O)CC3=CC=CC=C3I

InChI

InChI=1S/C22H19IN4O4/c1-29-17-8-14(9-18(30-2)21(17)31-3)20-15(11-24)12-25-22(27-20)26-19(28)10-13-6-4-5-7-16(13)23/h4-9,12H,10H2,1-3H3,(H,25,26,27,28)