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

Systemtic Name: ethyl 2-[[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-[6-(allylamino)-2-amino-purin-9-yl]ethoxymethyl-phenoxy-phosphoryl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[2-amino-6-(prop-2-enylamino)-9-purinyl]ethoxymethyl-phenoxyphosphoryl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-amino-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-phenoxyphosphoryl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[6-(allylamino)-2-amino-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=C3NCC=C)N)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NP(=O)(COCCN2C=NC3=C2N=C(N=C3NCC=C)N)OC4=CC=CC=C4

InChI

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