propan-2-yl 2-[[2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propanoate

Systemtic Name: propan-2-yl 2-[[2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propanoate Openeye Name: isopropyl 2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propanoate CAS Name: 2-[[2-[2-amino-6-(cyclopropylamino)-9-purinyl]ethoxymethyl-phenoxyphosphoryl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxyphosphoryl]amino]propanoate Traditional Name: 2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]propionic acid isopropyl ester Formula: C23H32N7O5P MolecularWeight: 517.517841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C)NP(=O)(COCCN1C=NC2=C1N=C(N=C2NC3CC3)N)OC4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C(C)NP(=O)(COCCN1C=NC2=C1N=C(N=C2NC3CC3)N)OC4=CC=CC=C4

InChI

InChI=1S/C23H32N7O5P/c1-15(2)34-22(31)16(3)29-36(32,35-18-7-5-4-6-8-18)14-33-12-11-30-13-25-19-20(26-17-9-10-17)27-23(24)28-21(19)30/h4-8,13,15-17H,9-12,14H2,1-3H3,(H,29,32)(H3,24,26,27,28)