(E)-N-[4-(2H-benzotriazol-4-ylamino)pyrido[3,4-d]pyrimidin-6-yl]-4,4,4-tris(fluoranyl)but-2-enamide

Systemtic Name: (E)-N-[4-(2H-benzotriazol-4-ylamino)pyrido[3,4-d]pyrimidin-6-yl]-4,4,4-tris(fluoranyl)but-2-enamide Openeye Name: (E)-N-[4-(2H-benzotriazol-4-ylamino)pyrido[3,4-d]pyrimidin-6-yl]-4,4,4-trifluoro-but-2-enamide CAS Name: (E)-N-[4-(2H-benzotriazol-4-ylamino)-6-pyrido[3,4-d]pyrimidinyl]-4,4,4-trifluoro-2-butenamide IUPAC Name: (E)-N-[4-(2H-benzotriazol-4-ylamino)pyrido[3,4-d]pyrimidin-6-yl]-4,4,4-trifluorobut-2-enamide Traditional Name: (E)-N-[4-(2H-benzotriazol-4-ylamino)pyrido[3,4-d]pyrimidin-6-yl]-4,4,4-trifluoro-but-2-enamide Formula: C17H11F3N8O MolecularWeight: 400.31745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NNN=C2C(=C1)NC3=NC=NC4=CN=C(C=C43)NC(=O)C=CC(F)(F)F

Isomeric SMILES

C1=CC2=NNN=C2C(=C1)NC3=NC=NC4=CN=C(C=C43)NC(=O)/C=C/C(F)(F)F

InChI

InChI=1S/C17H11F3N8O/c18-17(19,20)5-4-14(29)25-13-6-9-12(7-21-13)22-8-23-16(9)24-10-2-1-3-11-15(10)27-28-26-11/h1-8H,(H,21,25,29)(H,22,23,24)(H,26,27,28)/b5-4+