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

Systemtic Name: 6-bromanyl-2-phenyl-3-[[2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]quinazolin-4-one; ethanedioic acid Openeye Name: 6-bromo-2-phenyl-3-[(2,3,4,5-tetrahydroxytetrahydropyran-2-yl)methylamino]quinazolin-4-one; oxalic acid CAS Name: 6-bromo-2-phenyl-3-[(2,3,4,5-tetrahydroxy-2-oxanyl)methylamino]-4-quinazolinone; oxalic acid IUPAC Name: 6-bromo-2-phenyl-3-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]quinazolin-4-one; oxalic acid Traditional Name: 6-bromo-2-phenyl-3-[(2,3,4,5-tetrahydroxytetrahydropyran-2-yl)methylamino]quinazolin-4-one; oxalic acid Formula: C22H22BrN3O10 MolecularWeight: 568.32818

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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=C4)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=C4)O)O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20BrN3O6.C2H2O4/c21-12-6-7-14-13(8-12)19(28)24(18(23-14)11-4-2-1-3-5-11)22-10-20(29)17(27)16(26)15(25)9-30-20;3-1(4)2(5)6/h1-8,15-17,22,25-27,29H,9-10H2;(H,3,4)(H,5,6)