[[(2R,3S,5R)-5-[4-azanyl-5-(3-azanylprop-2-ynyl)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,5R)-5-[4-azanyl-5-(3-azanylprop-2-ynyl)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,5R)-5-[4-amino-5-(3-aminoprop-2-ynyl)-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,5R)-5-[4-amino-5-(3-aminoprop-2-ynyl)-2-oxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,5R)-5-[4-amino-5-(3-aminoprop-2-ynyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,5R)-5-[4-amino-5-(3-aminoprop-2-ynyl)-2-keto-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C12H19N4O13P3 MolecularWeight: 520.219543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=NC2=O)N)CC#CN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CC#CN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C12H19N4O13P3/c13-3-1-2-7-5-16(12(18)15-11(7)14)10-4-8(17)9(27-10)6-26-31(22,23)29-32(24,25)28-30(19,20)21/h5,8-10,17H,2,4,6,13H2,(H,22,23)(H,24,25)(H2,14,15,18)(H2,19,20,21)/t8-,9+,10+/m0/s1