[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] diphosphono phosphate

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] diphosphono phosphate Openeye Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxy-butyl] diphosphono phosphate CAS Name: phosphoric acid [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybutyl] diphosphono ester IUPAC Name: [3-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-hydroxybutyl] diphosphono phosphate Traditional Name: phosphoric acid [3-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-hydroxy-butyl] diphosphono ester Formula: C10H18N5O12P3 MolecularWeight: 493.197503

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CCOP(=O)(OP(=O)(O)O)OP(=O)(O)O)CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC(CCOP(=O)(OP(=O)(O)O)OP(=O)(O)O)CO)NC(=NC2=O)N

InChI

InChI=1S/C10H18N5O12P3/c11-10-13-8-7(9(17)14-10)12-5-15(8)3-6(4-16)1-2-25-30(24,26-28(18,19)20)27-29(21,22)23/h5-6,16H,1-4H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)