(E)-4-(dimethylamino)-N-[6-[(6-phenylazanylpyrimidin-4-yl)amino]pyridin-2-yl]but-2-enamide

Systemtic Name: (E)-4-(dimethylamino)-N-[6-[(6-phenylazanylpyrimidin-4-yl)amino]pyridin-2-yl]but-2-enamide Openeye Name: (E)-N-[6-[(6-anilinopyrimidin-4-yl)amino]-2-pyridyl]-4-(dimethylamino)but-2-enamide CAS Name: (E)-N-[6-[(6-anilino-4-pyrimidinyl)amino]-2-pyridinyl]-4-(dimethylamino)-2-butenamide IUPAC Name: (E)-N-[6-[(6-anilinopyrimidin-4-yl)amino]pyridin-2-yl]-4-(dimethylamino)but-2-enamide Traditional Name: (E)-N-[6-[(6-anilinopyrimidin-4-yl)amino]-2-pyridyl]-4-(dimethylamino)but-2-enamide Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC=CC(=O)NC1=CC=CC(=N1)NC2=NC=NC(=C2)NC3=CC=CC=C3

Isomeric SMILES

CN(C)C/C=C/C(=O)NC1=CC=CC(=N1)NC2=NC=NC(=C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N7O/c1-28(2)13-7-12-21(29)27-18-11-6-10-17(25-18)26-20-14-19(22-15-23-20)24-16-8-4-3-5-9-16/h3-12,14-15H,13H2,1-2H3,(H3,22,23,24,25,26,27,29)/b12-7+