[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]phosphonic acid

Systemtic Name: [3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]phosphonic acid Openeye Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]phosphonic acid CAS Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]phosphonic acid IUPAC Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]phosphonic acid Traditional Name: [3-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-3,6-dihydro-2H-pyran-6-yl]phosphonic acid Formula: C11H14N5O6P MolecularWeight: 343.232521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(OC(C1N2C=NC3=C2NC(=NC3=O)N)CO)P(=O)(O)O

Isomeric SMILES

C1=CC(OC(C1N2C=NC3=C2NC(=NC3=O)N)CO)P(=O)(O)O

InChI

InChI=1S/C11H14N5O6P/c12-11-14-9-8(10(18)15-11)13-4-16(9)5-1-2-7(23(19,20)21)22-6(5)3-17/h1-2,4-7,17H,3H2,(H2,19,20,21)(H3,12,14,15,18)