2-azanyl-9-[oxidanyl(2-oxidanylpropoxy)methyl]-7,8-dihydro-3H-purin-6-one triphosphate

Systemtic Name: 2-azanyl-9-[oxidanyl(2-oxidanylpropoxy)methyl]-7,8-dihydro-3H-purin-6-one triphosphate Openeye Name: 2-amino-9-[hydroxy(2-hydroxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one triphosphate CAS Name: 2-amino-9-[hydroxy(2-hydroxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one triphosphate IUPAC Name: 2-amino-9-[hydroxy(2-hydroxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one triphosphate Traditional Name: 2-amino-9-[hydroxy(2-hydroxypropoxy)methyl]-7,8-dihydro-3H-purin-6-one triphosphate Formula: C9H15N5O16P3-9 MolecularWeight: 542.160583

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(N1CNC2=C1NC(=NC2=O)N)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(COC(N1CNC2=C1NC(=NC2=O)N)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C9H15N5O4.3H3O4P/c1-4(15)2-18-9(17)14-3-11-5-6(14)12-8(10)13-7(5)16;3*1-5(2,3)4/h4,9,11,15,17H,2-3H2,1H3,(H3,10,12,13,16);3*(H3,1,2,3,4)/p-9