[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxy]-3-oxidanyl-propoxy]methylphosphonic acid

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxy]-3-oxidanyl-propoxy]methylphosphonic acid Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)oxy]-3-hydroxy-propoxy]methylphosphonic acid CAS Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)oxy]-3-hydroxypropoxy]methylphosphonic acid IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)oxy]-3-hydroxypropoxy]methylphosphonic acid Traditional Name: [2-[(2-amino-6-keto-3H-purin-9-yl)oxy]-3-hydroxy-propoxy]methylphosphonic acid Formula: C9H14N5O7P MolecularWeight: 335.210521

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1OC(CO)COCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1OC(CO)COCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H14N5O7P/c10-9-12-7-6(8(16)13-9)11-3-14(7)21-5(1-15)2-20-4-22(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)