4-azanyl-7-methoxy-2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)quinazoline-5-sulfonate

Systemtic Name: 4-azanyl-7-methoxy-2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)quinazoline-5-sulfonate Openeye Name: 4-amino-7-methoxy-2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-6-(trifluoromethyl)quinazoline-5-sulfonate CAS Name: 4-amino-7-methoxy-2-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-6-(trifluoromethyl)-5-quinazolinesulfonate IUPAC Name: 4-amino-7-methoxy-2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-6-(trifluoromethyl)quinazoline-5-sulfonate Traditional Name: 4-amino-7-methoxy-2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-6-(trifluoromethyl)quinazoline-5-sulfonate Formula: C20H24F3N6O6S- MolecularWeight: 533.50137

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCCN(CC3)C(=O)N4CCOCC4)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCCN(CC3)C(=O)N4CCOCC4)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H25F3N6O6S/c1-34-13-11-12-14(16(36(31,32)33)15(13)20(21,22)23)17(24)26-18(25-12)27-3-2-4-28(6-5-27)19(30)29-7-9-35-10-8-29/h11H,2-10H2,1H3,(H2,24,25,26)(H,31,32,33)/p-1