methyl 2-[[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]methoxy-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: methyl 2-[[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]methoxy-phenoxy-phosphoryl]amino]propanoate Openeye Name: methyl 2-[[[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methoxy-phenoxy-phosphoryl]amino]propanoate CAS Name: 2-[[[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]methoxy-phenoxyphosphoryl]amino]propanoate Traditional Name: 2-[[[2-[(2-amino-6-keto-3H-purin-9-yl)methyl]benzyl]oxy-phenoxy-phosphoryl]amino]propionic acid methyl ester Formula: C23H25N6O6P MolecularWeight: 512.454961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=O)(OCC1=CC=CC=C1CN2C=NC3=C2NC(=NC3=O)N)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC)NP(=O)(OCC1=CC=CC=C1CN2C=NC3=C2NC(=NC3=O)N)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N6O6P/c1-15(22(31)33-2)28-36(32,35-18-10-4-3-5-11-18)34-13-17-9-7-6-8-16(17)12-29-14-25-19-20(29)26-23(24)27-21(19)30/h3-11,14-15H,12-13H2,1-2H3,(H,28,32)(H3,24,26,27,30)