[5-[7-methyl-2,4,8-tris(oxidanylidene)-1H-pyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

Systemtic Name: [5-[7-methyl-2,4,8-tris(oxidanylidene)-1H-pyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate Openeye Name: [2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentyl] dihydrogen phosphate CAS Name: [2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentyl] dihydrogen phosphate IUPAC Name: [2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentyl] dihydrogen phosphate Traditional Name: [2,3,4-trihydroxy-5-(2,4,8-triketo-7-methyl-1H-pyrimido[4,5-b]quinolin-10-yl)pentyl] dihydrogen phosphate Formula: C17H20N3O10P MolecularWeight: 457.328561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(NC(=O)NC3=O)N(C2=CC1=O)CC(C(C(COP(=O)(O)O)O)O)O

Isomeric SMILES

CC1=CC2=CC3=C(NC(=O)NC3=O)N(C2=CC1=O)CC(C(C(COP(=O)(O)O)O)O)O

InChI

InChI=1S/C17H20N3O10P/c1-7-2-8-3-9-15(18-17(26)19-16(9)25)20(10(8)4-11(7)21)5-12(22)14(24)13(23)6-30-31(27,28)29/h2-4,12-14,22-24H,5-6H2,1H3,(H2,27,28,29)(H2,18,19,25,26)