methyl 2-[[[(Z)-4-(6-oxidanylidene-3H-purin-9-yl)but-2-enoxy]-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: methyl 2-[[[(Z)-4-(6-oxidanylidene-3H-purin-9-yl)but-2-enoxy]-phenoxy-phosphoryl]amino]propanoate Openeye Name: methyl 2-[[[(Z)-4-(6-oxo-3H-purin-9-yl)but-2-enoxy]-phenoxy-phosphoryl]amino]propanoate CAS Name: 2-[[[(Z)-4-(6-oxo-3H-purin-9-yl)but-2-enoxy]-phenoxyphosphoryl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[[(Z)-4-(6-oxo-3H-purin-9-yl)but-2-enoxy]-phenoxyphosphoryl]amino]propanoate Traditional Name: 2-[[[(Z)-4-(6-keto-3H-purin-9-yl)but-2-enoxy]-phenoxy-phosphoryl]amino]propionic acid methyl ester Formula: C19H22N5O6P MolecularWeight: 447.381641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=O)(OCC=CCN1C=NC2=C1NC=NC2=O)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H22N5O6P/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/h3-9,12-14H,10-11H2,1-2H3,(H,23,27)(H,20,21,25)/b7-6-