N-[3-[[6-[(3-ethynylphenyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

Systemtic Name: N-[3-[[6-[(3-ethynylphenyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide Openeye Name: N-[3-[[6-(3-ethynylanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide CAS Name: N-[3-[[6-(3-ethynylanilino)-4-pyrimidinyl]amino]phenyl]-2-propenamide IUPAC Name: N-[3-[[6-(3-ethynylanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide Traditional Name: N-[3-[[6-(3-ethynylanilino)pyrimidin-4-yl]amino]phenyl]acrylamide Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC=CC(=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

C=CC(=O)NC1=CC=CC(=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H17N5O/c1-3-15-7-5-8-16(11-15)24-19-13-20(23-14-22-19)25-17-9-6-10-18(12-17)26-21(27)4-2/h1,4-14H,2H2,(H,26,27)(H2,22,23,24,25)