[2-(6-aminopurin-9-yl)-5-(7-azanyl-1-phosphonooxy-heptyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [2-(6-aminopurin-9-yl)-5-(7-azanyl-1-phosphonooxy-heptyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate Openeye Name: [7-amino-1-[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]heptyl] dihydrogen phosphate CAS Name: [7-amino-1-[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-2-oxolanyl]heptyl] dihydrogen phosphate IUPAC Name: [7-amino-1-[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]heptyl] dihydrogen phosphate Traditional Name: [2-adenin-9-yl-5-(7-amino-1-phosphonooxy-heptyl)-4-hydroxy-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C16H28N6O10P2 MolecularWeight: 526.375242

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(CCCCCCN)OP(=O)(O)O)O)OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(CCCCCCN)OP(=O)(O)O)O)OP(=O)(O)O

InChI

InChI=1S/C16H28N6O10P2/c17-6-4-2-1-3-5-9(31-33(24,25)26)12-11(23)13(32-34(27,28)29)16(30-12)22-8-21-10-14(18)19-7-20-15(10)22/h7-9,11-13,16,23H,1-6,17H2,(H2,18,19,20)(H2,24,25,26)(H2,27,28,29)