2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-7,8-dihydro-3H-purin-6-one triphosphate

Systemtic Name: 2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-7,8-dihydro-3H-purin-6-one triphosphate Openeye Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-3H-purin-6-one triphosphate CAS Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-3H-purin-6-one triphosphate IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-3H-purin-6-one triphosphate Traditional Name: 2-amino-9-(4-hydroxy-3-methylol-butyl)-7,8-dihydro-3H-purin-6-one triphosphate Formula: C10H17N5O15P3-9 MolecularWeight: 540.187763

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCC(CO)CO)NC(=NC2=O)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1NC2=C(N1CCC(CO)CO)NC(=NC2=O)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C10H17N5O3.3H3O4P/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17;3*1-5(2,3)4/h6,12,16-17H,1-5H2,(H3,11,13,14,18);3*(H3,1,2,3,4)/p-9