[[(2R,3S,5R)-5-(3-methyl-7-oxidanylidene-5,8-dihydropyrimido[4,5-c]pyridazin-6-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,5R)-5-(3-methyl-7-oxidanylidene-5,8-dihydropyrimido[4,5-c]pyridazin-6-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(3-methyl-7-oxo-5,8-dihydropyrimido[4,5-c]pyridazin-6-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate CAS Name: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(3-methyl-7-oxo-5,8-dihydropyrimido[4,5-c]pyridazin-6-yl)-2-oxolanyl]methoxy]phosphoryl] phosphono hydrogen phosphate IUPAC Name: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(3-methyl-7-oxo-5,8-dihydropyrimido[4,5-c]pyridazin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate Traditional Name: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(7-keto-3-methyl-5,8-dihydropyrimido[4,5-c]pyridazin-6-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate Formula: C12H19N4O13P3 MolecularWeight: 520.219543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C(=C1)CN(C(=O)N2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

CC1=NN=C2C(=C1)CN(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C12H19N4O13P3/c1-6-2-7-4-16(12(18)13-11(7)15-14-6)10-3-8(17)9(27-10)5-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,8-10,17H,3-5H2,1H3,(H,22,23)(H,24,25)(H,13,15,18)(H2,19,20,21)/t8-,9+,10+/m0/s1