[[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-(6-azanylhexoxy)methyl] dihydrogen phosphate

Systemtic Name: [[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-(6-azanylhexoxy)methyl] dihydrogen phosphate Openeye Name: [6-aminohexoxy-[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl] dihydrogen phosphate CAS Name: [6-aminohexoxy-[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl] dihydrogen phosphate IUPAC Name: [6-aminohexoxy-[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl] dihydrogen phosphate Traditional Name: [(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)-(6-aminohexoxy)methyl] dihydrogen phosphate Formula: C16H27N6O7P MolecularWeight: 446.395341

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)C(OCCCCCCN)OP(=O)(O)O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)C(OCCCCCCN)OP(=O)(O)O)O

InChI

InChI=1S/C16H27N6O7P/c17-5-3-1-2-4-6-27-16(29-30(24,25)26)13-10(23)7-11(28-13)22-9-21-12-14(18)19-8-20-15(12)22/h8-11,13,16,23H,1-7,17H2,(H2,18,19,20)(H2,24,25,26)