methyl 2-[[[3-[(6-aminopurin-9-yl)methylidene]cyclobutyl]methoxy-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: methyl 2-[[[3-[(6-aminopurin-9-yl)methylidene]cyclobutyl]methoxy-phenoxy-phosphoryl]amino]propanoate Openeye Name: methyl 2-[[[3-[(6-aminopurin-9-yl)methylene]cyclobutyl]methoxy-phenoxy-phosphoryl]amino]propanoate CAS Name: 2-[[[3-[(6-aminopurin-9-yl)methylidene]cyclobutyl]methoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[[3-[(6-aminopurin-9-yl)methylidene]cyclobutyl]methoxy-phenoxyphosphoryl]amino]propanoate Traditional Name: 2-[[[3-(adenin-9-ylmethylene)cyclobutyl]methoxy-phenoxy-phosphoryl]amino]propionic acid methyl ester Formula: C21H25N6O5P MolecularWeight: 472.434161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=O)(OCC1CC(=CN2C=NC3=C2N=CN=C3N)C1)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC)NP(=O)(OCC1CC(=CN2C=NC3=C2N=CN=C3N)C1)OC4=CC=CC=C4

InChI

InChI=1S/C21H25N6O5P/c1-14(21(28)30-2)26-33(29,32-17-6-4-3-5-7-17)31-11-16-8-15(9-16)10-27-13-25-18-19(22)23-12-24-20(18)27/h3-7,10,12-14,16H,8-9,11H2,1-2H3,(H,26,29)(H2,22,23,24)