[5-(6-aminopurin-9-yl)penta-2,3-dienoxy-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [5-(6-aminopurin-9-yl)penta-2,3-dienoxy-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [5-(6-aminopurin-9-yl)penta-2,3-dienoxy-(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-hydroxy-oxo-phosphonium CAS Name: [5-(6-aminopurin-9-yl)penta-2,3-dienoxy-(1-hydroxy-1-oxopropan-2-yl)amino]-hydroxy-oxophosphonium IUPAC Name: [5-(6-aminopurin-9-yl)penta-2,3-dienoxy-(1-hydroxy-1-oxopropan-2-yl)amino]-hydroxy-oxophosphanium Traditional Name: [5-adenin-9-ylpenta-2,3-dienoxy-(2-hydroxy-2-keto-1-methyl-ethyl)amino]-hydroxy-keto-phosphonium Formula: C13H16N6O5P+ MolecularWeight: 367.277101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(OCC=C=CCN1C=NC2=C1N=CN=C2N)[P+](=O)O

Isomeric SMILES

CC(C(=O)O)N(OCC=C=CCN1C=NC2=C1N=CN=C2N)[P+](=O)O

InChI

InChI=1S/C13H15N6O5P/c1-9(13(20)21)19(25(22)23)24-6-4-2-3-5-18-8-17-10-11(14)15-7-16-12(10)18/h3-4,7-9H,5-6H2,1H3,(H3-,14,15,16,20,21,22,23)/p+1