[2-(4-fluoranyl-2-nitro-phenyl)-6,8-bis(oxidanylidene)-5,7-bis(phenylmethyl)pyrimido[4,5-e][1,2,4]triazin-3-ylidene]cyanamide

Systemtic Name: [2-(4-fluoranyl-2-nitro-phenyl)-6,8-bis(oxidanylidene)-5,7-bis(phenylmethyl)pyrimido[4,5-e][1,2,4]triazin-3-ylidene]cyanamide Openeye Name: [5,7-dibenzyl-2-(4-fluoro-2-nitro-phenyl)-6,8-dioxo-pyrimido[4,5-e][1,2,4]triazin-3-ylidene]cyanamide CAS Name: [2-(4-fluoro-2-nitrophenyl)-6,8-dioxo-5,7-bis(phenylmethyl)-3-pyrimido[4,5-e][1,2,4]triazinylidene]cyanamide IUPAC Name: [5,7-dibenzyl-2-(4-fluoro-2-nitrophenyl)-6,8-dioxopyrimido[4,5-e][1,2,4]triazin-3-ylidene]cyanamide Traditional Name: [5,7-dibenzyl-2-(4-fluoro-2-nitro-phenyl)-6,8-diketo-pyrimido[4,5-e][1,2,4]triazin-3-ylidene]cyanamide Formula: C26H17FN8O4 MolecularWeight: 524.462783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC(=NC#N)N(N=C3C(=O)N(C2=O)CC4=CC=CC=C4)C5=C(C=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC(=NC#N)N(N=C3C(=O)N(C2=O)CC4=CC=CC=C4)C5=C(C=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C26H17FN8O4/c27-19-11-12-20(21(13-19)35(38)39)34-25(29-16-28)30-23-22(31-34)24(36)33(15-18-9-5-2-6-10-18)26(37)32(23)14-17-7-3-1-4-8-17/h1-13H,14-15H2