2-azanyl-7-methoxy-2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)-3H-quinazoline-4-sulfonic acid

Systemtic Name: 2-azanyl-7-methoxy-2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)-3H-quinazoline-4-sulfonic acid Openeye Name: 2-amino-7-methoxy-2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-6-(trifluoromethyl)-3H-quinazoline-4-sulfonic acid CAS Name: 2-amino-7-methoxy-2-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-6-(trifluoromethyl)-3H-quinazoline-4-sulfonic acid IUPAC Name: 2-amino-7-methoxy-2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-6-(trifluoromethyl)-3H-quinazoline-4-sulfonic acid Traditional Name: 2-amino-7-methoxy-2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-6-(trifluoromethyl)-3H-quinazoline-4-sulfonic acid Formula: C20H27F3N6O6S MolecularWeight: 536.52519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(NC(=C2C=C1C(F)(F)F)S(=O)(=O)O)(N)N3CCCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

COC1=CC2=NC(NC(=C2C=C1C(F)(F)F)S(=O)(=O)O)(N)N3CCCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C20H27F3N6O6S/c1-34-16-12-15-13(11-14(16)19(21,22)23)17(36(31,32)33)26-20(24,25-15)29-4-2-3-27(5-6-29)18(30)28-7-9-35-10-8-28/h11-12,26H,2-10,24H2,1H3,(H,31,32,33)