[[(2R,3S,4R,5S)-5-(7-azanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2R,3S,4R,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5S)-5-(7-azanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2R,3S,4R,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5S)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5S)-5-(7-amino-3-triazolo[4,5-d]pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [[(2R,3S,4R,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5S)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5S)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(2R,3S,4R,5S)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C18H25N8O18P3 MolecularWeight: 734.355183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C5=C(C(=NC=N5)N)N=N4)O)O)O)O

Isomeric SMILES

C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)N4C5=C(C(=NC=N5)N)N=N4)O)O)O)O

InChI

InChI=1S/C18H25N8O18P3/c19-14-9-15(21-5-20-14)26(24-23-9)17-13(31)11(29)7(42-17)4-40-46(35,36)44-47(37,38)43-45(33,34)39-3-6-10(28)12(30)16(41-6)25-2-1-8(27)22-18(25)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,33,34)(H,35,36)(H,37,38)(H2,19,20,21)(H,22,27,32)/t6-,7-,10-,11-,12-,13-,16+,17+/m1/s1