[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [2-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H15N4O12P3 MolecularWeight: 464.156283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C9H15N4O12P3/c1-12-7-6(8(14)13(2)9(12)15)10-5(11-7)3-4-23-27(19,20)25-28(21,22)24-26(16,17)18/h3-4H2,1-2H3,(H,10,11)(H,19,20)(H,21,22)(H2,16,17,18)