[5-(6-azanyl-7H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl methyl phosphate

Systemtic Name: [5-(6-azanyl-7H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl methyl phosphate Openeye Name: [5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl methyl phosphate CAS Name: [5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl methyl phosphate IUPAC Name: [5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl methyl phosphate Traditional Name: [5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl methyl phosphate Formula: C11H16N5O7P MolecularWeight: 361.247801

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)([O-])OCC1C(C(C(O1)[N+]2=CNC3=C2N=CN=C3N)O)O

Isomeric SMILES

COP(=O)([O-])OCC1C(C(C(O1)[N+]2=CNC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C11H16N5O7P/c1-21-24(19,20)22-2-5-7(17)8(18)11(23-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H3,12,13,14,19,20)