7,8-dimethyl-10-[2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridine-2,4-dione; ethanoyl phosphate

Systemtic Name: 7,8-dimethyl-10-[2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridine-2,4-dione; ethanoyl phosphate Openeye Name: acetyl phosphate; 7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione CAS Name: acetyl phosphate; 7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione IUPAC Name: acetyl phosphate; 7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione Traditional Name: acetyl phosphate; 7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-quinone Formula: C19H23N4O11P-2 MolecularWeight: 514.379881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O.CC(=O)OP(=O)([O-])[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O.CC(=O)OP(=O)([O-])[O-]

InChI

InChI=1S/C17H20N4O6.C2H5O5P/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15;1-2(3)7-8(4,5)6/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27);1H3,(H2,4,5,6)/p-2