8-bromanyl-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridine-2,4-dione

Systemtic Name: 8-bromanyl-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridine-2,4-dione Openeye Name: 8-bromo-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione CAS Name: 8-bromo-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione IUPAC Name: 8-bromo-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione Traditional Name: 8-bromo-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-quinone Formula: C16H17BrN4O6 MolecularWeight: 441.23338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Br)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1Br)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O

InChI

InChI=1S/C16H17BrN4O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1