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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C9H15N4O12P3/c1-11-5-10-7-6(11)8(14)13(9(15)12(7)2)3-4-23-27(19,20)25-28(21,22)24-26(16,17)18/h5H,3-4H2,1-2H3,(H,19,20)(H,21,22)(H2,16,17,18)