[3-[[2,6-bis(azanyl)purin-9-yl]oxymethyl]-4-oxidanyl-butyl]phosphonic acid

Systemtic Name: [3-[[2,6-bis(azanyl)purin-9-yl]oxymethyl]-4-oxidanyl-butyl]phosphonic acid Openeye Name: [3-[(2,6-diaminopurin-9-yl)oxymethyl]-4-hydroxy-butyl]phosphonic acid CAS Name: [3-[(2,6-diamino-9-purinyl)oxymethyl]-4-hydroxybutyl]phosphonic acid IUPAC Name: [3-[(2,6-diaminopurin-9-yl)oxymethyl]-4-hydroxybutyl]phosphonic acid Traditional Name: [3-[(2,6-diaminopurin-9-yl)oxymethyl]-4-hydroxy-butyl]phosphonic acid Formula: C10H17N6O5P MolecularWeight: 332.252941

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1OCC(CCP(=O)(O)O)CO)N=C(N=C2N)N

Isomeric SMILES

C1=NC2=C(N1OCC(CCP(=O)(O)O)CO)N=C(N=C2N)N

InChI

InChI=1S/C10H17N6O5P/c11-8-7-9(15-10(12)14-8)16(5-13-7)21-4-6(3-17)1-2-22(18,19)20/h5-6,17H,1-4H2,(H2,18,19,20)(H4,11,12,14,15)