ethyl 3-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-5-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 3-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-5-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 3-(4,6-dimorpholino-1,3,5-triazin-2-yl)-5-phenyl-triazole-4-carboxylate CAS Name: 3-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-5-phenyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-5-phenyltriazole-4-carboxylate Traditional Name: 3-(4,6-dimorpholino-s-triazin-2-yl)-5-phenyl-triazole-4-carboxylic acid ethyl ester Formula: C22H26N8O4 MolecularWeight: 466.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NN1C2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N=NN1C2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C22H26N8O4/c1-2-34-19(31)18-17(16-6-4-3-5-7-16)26-27-30(18)22-24-20(28-8-12-32-13-9-28)23-21(25-22)29-10-14-33-15-11-29/h3-7H,2,8-15H2,1H3