[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,3-dioxolan-2-yl]methylphosphonic acid

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,3-dioxolan-2-yl]methylphosphonic acid Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1,3-dioxolan-2-yl]methylphosphonic acid CAS Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1,3-dioxolan-2-yl]methylphosphonic acid IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1,3-dioxolan-2-yl]methylphosphonic acid Traditional Name: [4-(2-amino-6-keto-3H-purin-9-yl)-1,3-dioxolan-2-yl]methylphosphonic acid Formula: C9H12N5O6P MolecularWeight: 317.195241

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)CP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1C(OC(O1)CP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C9H12N5O6P/c10-9-12-7-6(8(15)13-9)11-3-14(7)4-1-19-5(20-4)2-21(16,17)18/h3-5H,1-2H2,(H2,16,17,18)(H3,10,12,13,15)