bis[[2-[1-(6-aminopurin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: bis[[2-[1-(6-aminopurin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: bis[[2-[1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-oxo-propoxy]-hydroxy-phosphoryl] hydrogen phosphate CAS Name: bis[[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: bis[[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] hydrogen phosphate Traditional Name: bis[[2-(1-adenin-9-yl-2-keto-ethoxy)-3-keto-propoxy]-hydroxy-phosphoryl] hydrogen phosphate Formula: C20H23N10O16P3 MolecularWeight: 752.375303

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(C=O)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC(C=O)OC(C=O)N3C=NC4=C3N=CN=C4N)C=O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(C=O)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC(C=O)OC(C=O)N3C=NC4=C3N=CN=C4N)C=O

InChI

InChI=1S/C20H23N10O16P3/c21-17-15-19(25-7-23-17)29(9-27-15)13(3-33)43-11(1-31)5-41-47(35,36)45-49(39,40)46-48(37,38)42-6-12(2-32)44-14(4-34)30-10-28-16-18(22)24-8-26-20(16)30/h1-4,7-14H,5-6H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)