[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy-oxidanyl-phosphoryl]methanoic acid

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy-oxidanyl-phosphoryl]methanoic acid Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-hydroxy-phosphoryl]formic acid CAS Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-hydroxyphosphoryl]formic acid IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-hydroxyphosphoryl]formic acid Traditional Name: [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy-hydroxy-phosphoryl]formic acid Formula: C9H12N5O7P MolecularWeight: 333.194641

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCOP(=O)(C(=O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCCOP(=O)(C(=O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H12N5O7P/c10-8-12-6-5(7(15)13-8)11-3-14(6)4-20-1-2-21-22(18,19)9(16)17/h3H,1-2,4H2,(H,16,17)(H,18,19)(H3,10,12,13,15)