[5-[(6-aminopurin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid

Systemtic Name: [5-[(6-aminopurin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid Openeye Name: [5-[(6-aminopurin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid CAS Name: [5-[(6-aminopurin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid IUPAC Name: [5-[(6-aminopurin-9-yl)methyl]-1,3-oxathiolan-2-yl]phosphonic acid Traditional Name: [5-(adenin-9-ylmethyl)-1,3-oxathiolan-2-yl]phosphonic acid Formula: C9H12N5O4PS MolecularWeight: 317.261441

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)P(=O)(O)O)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1C(OC(S1)P(=O)(O)O)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C9H12N5O4PS/c10-7-6-8(12-3-11-7)14(4-13-6)1-5-2-20-9(18-5)19(15,16)17/h3-5,9H,1-2H2,(H2,10,11,12)(H2,15,16,17)