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

Systemtic Name: [2-azanylethoxy-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl] phosphono hydrogen phosphate Openeye Name: [2-aminoethoxy-[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] phosphono hydrogen phosphate CAS Name: [2-aminoethoxy-[5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl] phosphono hydrogen phosphate IUPAC Name: [2-aminoethoxy-[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] phosphono hydrogen phosphate Traditional Name: [2-aminoethoxy-[5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] phosphono hydrogen phosphate Formula: C11H20N4O12P2 MolecularWeight: 462.243622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(O2)C(OCCN)OP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)C(OCCN)OP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C11H20N4O12P2/c12-2-4-24-10(26-29(22,23)27-28(19,20)21)8-6(16)7(17)9(25-8)15-3-1-5(13)14-11(15)18/h1,3,6-10,16-17H,2,4,12H2,(H,22,23)(H2,13,14,18)(H2,19,20,21)