[(2R,3R,5R)-5-(7-azanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate; triethylazanium

Systemtic Name: [(2R,3R,5R)-5-(7-azanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate; triethylazanium Openeye Name: [(2R,3R,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate; triethylammonium CAS Name: [(2R,3R,5R)-5-(7-amino-3-triazolo[4,5-d]pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl phosphate; triethylammonium IUPAC Name: [(2R,3R,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxyoxolan-2-yl]methyl phosphate; triethylazanium Traditional Name: [(2R,3R,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate; triethylammonium Formula: C21H43N8O6P MolecularWeight: 534.589881

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)CC.C1C(C(OC1N2C3=C(C(=NC=N3)N)N=N2)COP(=O)([O-])[O-])O

Isomeric SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.C1[C@H]([C@H](O[C@H]1N2C3=C(C(=NC=N3)N)N=N2)COP(=O)([O-])[O-])O

InChI

InChI=1S/C9H13N6O6P.2C6H15N/c10-8-7-9(12-3-11-8)15(14-13-7)6-1-4(16)5(21-6)2-20-22(17,18)19;2*1-4-7(5-2)6-3/h3-6,16H,1-2H2,(H2,10,11,12)(H2,17,18,19);2*4-6H2,1-3H3/t4-,5-,6-;;/m1../s1