[1-[(6-azanyl-7H-purin-2-yl)oxy]-3-oxidanyl-propan-2-yl] dihydrogen phosphate

Systemtic Name: [1-[(6-azanyl-7H-purin-2-yl)oxy]-3-oxidanyl-propan-2-yl] dihydrogen phosphate Openeye Name: [1-[(6-amino-7H-purin-2-yl)oxymethyl]-2-hydroxy-ethyl] dihydrogen phosphate CAS Name: [1-[(6-amino-7H-purin-2-yl)oxy]-3-hydroxypropan-2-yl] dihydrogen phosphate IUPAC Name: [1-[(6-amino-7H-purin-2-yl)oxy]-3-hydroxypropan-2-yl] dihydrogen phosphate Traditional Name: [1-[(6-amino-7H-purin-2-yl)oxymethyl]-2-hydroxy-ethyl] dihydrogen phosphate Formula: C8H12N5O6P MolecularWeight: 305.184541

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=N2)OCC(CO)OP(=O)(O)O)N

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=N2)OCC(CO)OP(=O)(O)O)N

InChI

InChI=1S/C8H12N5O6P/c9-6-5-7(11-3-10-5)13-8(12-6)18-2-4(1-14)19-20(15,16)17/h3-4,14H,1-2H2,(H2,15,16,17)(H3,9,10,11,12,13)