N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide

Systemtic Name: N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide Openeye Name: N-[3-[6-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide CAS Name: N-[3-[6-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]-5-benzimidazolyl]-2-propenamide IUPAC Name: N-[3-[6-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide Traditional Name: N-[3-[6-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-5-yl]acrylamide Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=NC(=C2)N3C=NC4=C3C=C(C=C4)NC(=O)C=C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=NC(=C2)N3C=NC4=C3C=C(C=C4)NC(=O)C=C

InChI

InChI=1S/C23H22N6O4/c1-5-22(30)28-14-6-7-16-17(8-14)29(13-26-16)21-11-20(24-12-25-21)27-15-9-18(31-2)23(33-4)19(10-15)32-3/h5-13H,1H2,2-4H3,(H,28,30)(H,24,25,27)