1,2-bis[(2S,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl phosphono hydrogen phosphate

Systemtic Name: 1,2-bis[(2S,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl phosphono hydrogen phosphate Openeye Name: 1,2-bis[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl phosphono hydrogen phosphate CAS Name: 1,2-bis[(2S,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]ethyl phosphono hydrogen phosphate IUPAC Name: 1,2-bis[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl phosphono hydrogen phosphate Traditional Name: 1,2-bis[(2S,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl phosphono hydrogen phosphate Formula: C18H26N6O15P2 MolecularWeight: 628.377762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(O2)CC(C3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CC([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C18H26N6O15P2/c19-8-1-3-23(17(29)21-8)15-12(27)10(25)6(36-15)5-7(38-41(34,35)39-40(31,32)33)14-11(26)13(28)16(37-14)24-4-2-9(20)22-18(24)30/h1-4,6-7,10-16,25-28H,5H2,(H,34,35)(H2,19,21,29)(H2,20,22,30)(H2,31,32,33)/t6-,7?,10-,11+,12-,13-,14-,15-,16-/m1/s1