4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate

Systemtic Name: 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate Openeye Name: 4-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]benzoate CAS Name: 4-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzoate IUPAC Name: 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate Traditional Name: 4-[(4,6-dimorpholino-s-triazin-2-yl)amino]benzoate Formula: C18H21N6O4- MolecularWeight: 385.39714

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)[O-])N4CCOCC4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)[O-])N4CCOCC4

InChI

InChI=1S/C18H22N6O4/c25-15(26)13-1-3-14(4-2-13)19-16-20-17(23-5-9-27-10-6-23)22-18(21-16)24-7-11-28-12-8-24/h1-4H,5-12H2,(H,25,26)(H,19,20,21,22)/p-1