[(E)-3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)oxymethyl]-4-oxidanyl-but-1-enyl]phosphonic acid

Systemtic Name: [(E)-3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)oxymethyl]-4-oxidanyl-but-1-enyl]phosphonic acid Openeye Name: [(E)-3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxymethyl]-4-hydroxy-but-1-enyl]phosphonic acid CAS Name: [(E)-3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxymethyl]-4-hydroxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxymethyl]-4-hydroxybut-1-enyl]phosphonic acid Traditional Name: [(E)-3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)oxymethyl]-4-hydroxy-but-1-enyl]phosphonic acid Formula: C10H16N5O6P MolecularWeight: 333.237701

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1OCC(CO)C=CP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1OCC(CO)/C=C/P(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)21-4-6(3-16)1-2-22(18,19)20/h1-2,6,12,16H,3-5H2,(H2,18,19,20)(H3,11,13,14,17)/b2-1+