[[7-azanyl-1-[(2S,3S,4R,5R)-5-[5-[(E)-3-azanylprop-2-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-heptoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[7-azanyl-1-[(2S,3S,4R,5R)-5-[5-[(E)-3-azanylprop-2-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-heptoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[7-amino-1-[(2S,3S,4R,5R)-5-[5-[(E)-3-aminoallyl]-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-oxo-heptoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[7-amino-1-[(2S,3S,4R,5R)-5-[5-[(E)-3-aminoprop-2-enyl]-2,4-dioxo-1-pyrimidinyl]-3,4-dihydroxy-2-oxolanyl]-2-oxoheptoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[7-amino-1-[(2S,3S,4R,5R)-5-[5-[(E)-3-aminoprop-2-enyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]-2-oxoheptoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[7-amino-1-[(2S,3S,4R,5R)-5-[5-[(E)-3-aminoallyl]-2,4-diketo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-keto-heptoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C18H31N4O16P3 MolecularWeight: 652.377223

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC(=O)N1C2C(C(C(O2)C(C(=O)CCCCCN)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)CC=CN

Isomeric SMILES

C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)C(C(=O)CCCCCN)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C/C=C/N

InChI

InChI=1S/C18H31N4O16P3/c19-7-3-1-2-6-11(23)14(36-40(31,32)38-41(33,34)37-39(28,29)30)15-12(24)13(25)17(35-15)22-9-10(5-4-8-20)16(26)21-18(22)27/h4,8-9,12-15,17,24-25H,1-3,5-7,19-20H2,(H,31,32)(H,33,34)(H,21,26,27)(H2,28,29,30)/b8-4+/t12-,13+,14?,15-,17+/m0/s1