6-bromanyl-2-(2-chlorophenyl)-3-[[2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]quinazolin-4-one; ethanedioic acid

Systemtic Name: 6-bromanyl-2-(2-chlorophenyl)-3-[[2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]quinazolin-4-one; ethanedioic acid Openeye Name: 6-bromo-2-(2-chlorophenyl)-3-[(2,3,4,5-tetrahydroxytetrahydropyran-2-yl)methylamino]quinazolin-4-one; oxalic acid CAS Name: 6-bromo-2-(2-chlorophenyl)-3-[(2,3,4,5-tetrahydroxy-2-oxanyl)methylamino]-4-quinazolinone; oxalic acid IUPAC Name: 6-bromo-2-(2-chlorophenyl)-3-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]quinazolin-4-one; oxalic acid Traditional Name: 6-bromo-2-(2-chlorophenyl)-3-[(2,3,4,5-tetrahydroxytetrahydropyran-2-yl)methylamino]quinazolin-4-one; oxalic acid Formula: C22H21BrClN3O10 MolecularWeight: 602.77324

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)(CNN2C(=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4Cl)O)O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(C(C(C(O1)(CNN2C(=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4Cl)O)O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H19BrClN3O6.C2H2O4/c21-10-5-6-14-12(7-10)19(29)25(18(24-14)11-3-1-2-4-13(11)22)23-9-20(30)17(28)16(27)15(26)8-31-20;3-1(4)2(5)6/h1-7,15-17,23,26-28,30H,8-9H2;(H,3,4)(H,5,6)