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

Systemtic Name: [5-[7,8-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate Openeye Name: [5-(7,8-dimethyl-2,4-dioxo-pyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate CAS Name: [5-(7,8-dimethyl-2,4-dioxo-10-pyrimido[4,5-b]quinolinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate IUPAC Name: [5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate Traditional Name: [5-(2,4-diketo-7,8-dimethyl-pyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate Formula: C18H22N3O9P MolecularWeight: 455.355741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)O)O)O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)O)O)O)O)C

InChI

InChI=1S/C18H22N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-5,13-15,22-24H,6-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)