[(E)-3-[(6-azanyl-7H-purin-2-yl)methoxy]-4-oxidanyl-but-1-enyl]phosphonic acid

Systemtic Name: [(E)-3-[(6-azanyl-7H-purin-2-yl)methoxy]-4-oxidanyl-but-1-enyl]phosphonic acid Openeye Name: [(E)-3-[(6-amino-7H-purin-2-yl)methoxy]-4-hydroxy-but-1-enyl]phosphonic acid CAS Name: [(E)-3-[(6-amino-7H-purin-2-yl)methoxy]-4-hydroxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-3-[(6-amino-7H-purin-2-yl)methoxy]-4-hydroxybut-1-enyl]phosphonic acid Traditional Name: [(E)-3-[(6-amino-7H-purin-2-yl)methoxy]-4-hydroxy-but-1-enyl]phosphonic acid Formula: C10H14N5O5P MolecularWeight: 315.222421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=N2)COC(CO)C=CP(=O)(O)O)N

Isomeric SMILES

C1=NC2=C(N1)C(=NC(=N2)COC(CO)/C=C/P(=O)(O)O)N

InChI

InChI=1S/C10H14N5O5P/c11-9-8-10(13-5-12-8)15-7(14-9)4-20-6(3-16)1-2-21(17,18)19/h1-2,5-6,16H,3-4H2,(H2,17,18,19)(H3,11,12,13,14,15)/b2-1+