[9-[4-[[2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-3-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]-2H-purin-9-ium-6-yl]-methyl-methylidene-azanium

Systemtic Name: [9-[4-[[2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-3-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]-2H-purin-9-ium-6-yl]-methyl-methylidene-azanium Openeye Name: [9-[4-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2H-purin-9-ium-6-yl]-methyl-methylene-ammonium CAS Name: [9-[4-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3-hydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-2H-purin-9-ium-6-yl]-methyl-methyleneammonium IUPAC Name: [9-[4-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2H-purin-9-ium-6-yl]-methyl-methylideneazanium Traditional Name: [9-[4-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-2H-purin-9-ium-6-yl]-methyl-methylene-ammonium Formula: C22H30N7O8P+2 MolecularWeight: 551.489461

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C)C1=NCN=C2C1=NC=[N+]2C3C(C(C(O3)COP(=O)(O)O)NC(=O)C(CC4=CC=C(C=C4)OC)N)O

Isomeric SMILES

C[N+](=C)C1=NCN=C2C1=NC=[N+]2C3C(C(C(O3)COP(=O)(O)O)NC(=O)C(CC4=CC=C(C=C4)OC)N)O

InChI

InChI=1S/C22H28N7O8P/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(30)16(15(37-22)9-36-38(32,33)34)27-21(31)14(23)8-12-4-6-13(35-3)7-5-12/h4-7,11,14-16,18,22,30H,1,8-10,23H2,2-3H3,(H-2,27,31,32,33,34)/p+2