ethyl 2-[[2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[2-amino-6-(cyclopropylamino)-9-purinyl]ethoxymethyl-phenoxyphosphoryl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxyphosphoryl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propionic acid ethyl ester Formula: C28H34N7O5P MolecularWeight: 579.587221

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NP(=O)(COCCN2C=NC3=C2N=C(N=C3NC4CC4)N)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NP(=O)(COCCN2C=NC3=C2N=C(N=C3NC4CC4)N)OC5=CC=CC=C5

InChI

InChI=1S/C28H34N7O5P/c1-2-39-27(36)23(17-20-9-5-3-6-10-20)34-41(37,40-22-11-7-4-8-12-22)19-38-16-15-35-18-30-24-25(31-21-13-14-21)32-28(29)33-26(24)35/h3-12,18,21,23H,2,13-17,19H2,1H3,(H,34,37)(H3,29,31,32,33)