2-[[5-(6-aminopurin-9-yl)penta-2,3-dienoxy-oxidanyl-phosphoryl]amino]propanoic acid

Systemtic Name: 2-[[5-(6-aminopurin-9-yl)penta-2,3-dienoxy-oxidanyl-phosphoryl]amino]propanoic acid Openeye Name: 2-[[5-(6-aminopurin-9-yl)penta-2,3-dienoxy-hydroxy-phosphoryl]amino]propanoic acid CAS Name: 2-[[5-(6-aminopurin-9-yl)penta-2,3-dienoxy-hydroxyphosphoryl]amino]propanoic acid IUPAC Name: 2-[[5-(6-aminopurin-9-yl)penta-2,3-dienoxy-hydroxyphosphoryl]amino]propanoic acid Traditional Name: 2-[[5-adenin-9-ylpenta-2,3-dienoxy(hydroxy)phosphoryl]amino]propionic acid Formula: C13H17N6O5P MolecularWeight: 368.285041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NP(=O)(O)OCC=C=CCN1C=NC2=C1N=CN=C2N

Isomeric SMILES

CC(C(=O)O)NP(=O)(O)OCC=C=CCN1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C13H17N6O5P/c1-9(13(20)21)18-25(22,23)24-6-4-2-3-5-19-8-17-10-11(14)15-7-16-12(10)19/h3-4,7-9H,5-6H2,1H3,(H,20,21)(H2,14,15,16)(H2,18,22,23)