(E)-3-(3,4-dimethoxyphenyl)-N-(6-pyrazol-1-yl-2-thiophen-2-yl-pyrimidin-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(6-pyrazol-1-yl-2-thiophen-2-yl-pyrimidin-4-yl)prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[6-pyrazol-1-yl-2-(2-thienyl)pyrimidin-4-yl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[6-(1-pyrazolyl)-2-thiophen-2-yl-4-pyrimidinyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(6-pyrazol-1-yl-2-thiophen-2-ylpyrimidin-4-yl)prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[6-pyrazol-1-yl-2-(2-thienyl)pyrimidin-4-yl]acrylamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=NC(=NC(=C2)N3C=CC=N3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC(=NC(=C2)N3C=CC=N3)C4=CC=CS4)OC

InChI

InChI=1S/C22H19N5O3S/c1-29-16-8-6-15(13-17(16)30-2)7-9-21(28)24-19-14-20(27-11-4-10-23-27)26-22(25-19)18-5-3-12-31-18/h3-14H,1-2H3,(H,24,25,26,28)/b9-7+