methyl 2-[[4-(6-oxidanylidene-3H-purin-9-yl)buta-2,3-dienoxy-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: methyl 2-[[4-(6-oxidanylidene-3H-purin-9-yl)buta-2,3-dienoxy-phenoxy-phosphoryl]amino]propanoate Openeye Name: methyl 2-[[4-(6-oxo-3H-purin-9-yl)buta-2,3-dienoxy-phenoxy-phosphoryl]amino]propanoate CAS Name: 2-[[4-(6-oxo-3H-purin-9-yl)buta-2,3-dienoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(6-oxo-3H-purin-9-yl)buta-2,3-dienoxy-phenoxyphosphoryl]amino]propanoate Traditional Name: 2-[[4-(6-keto-3H-purin-9-yl)buta-2,3-dienoxy-phenoxy-phosphoryl]amino]propionic acid methyl ester Formula: C19H20N5O6P MolecularWeight: 445.365761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=O)(OCC=C=CN1C=NC2=C1NC=NC2=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)NP(=O)(OCC=C=CN1C=NC2=C1NC=NC2=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H20N5O6P/c1-14(19(26)28-2)23-31(27,30-15-8-4-3-5-9-15)29-11-7-6-10-24-13-22-16-17(24)20-12-21-18(16)25/h3-5,7-10,12-14H,11H2,1-2H3,(H,23,27)(H,20,21,25)