[5-(6-azanyl-2-chloranyl-purin-9-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-oxolan-2-yl]methyl prop-2-enyl carbonate

Systemtic Name: [5-(6-azanyl-2-chloranyl-purin-9-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-oxolan-2-yl]methyl prop-2-enyl carbonate Openeye Name: allyl [3-[allyloxy(2-cyanoethoxy)phosphoryl]oxy-5-(6-amino-2-chloro-purin-9-yl)tetrahydrofuran-2-yl]methyl carbonate CAS Name: carbonic acid [5-(6-amino-2-chloro-9-purinyl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxy-2-oxolanyl]methyl prop-2-enyl ester IUPAC Name: [5-(6-amino-2-chloropurin-9-yl)-3-[2-cyanoethoxy(prop-2-enoxy)phosphoryl]oxyoxolan-2-yl]methyl prop-2-enyl carbonate Traditional Name: carbonic acid allyl [3-[allyloxy(2-cyanoethoxy)phosphoryl]oxy-5-(6-amino-2-chloro-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C20H24ClN6O8P MolecularWeight: 542.866721

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)OCC1C(CC(O1)N2C=NC3=C2N=C(N=C3N)Cl)OP(=O)(OCCC#N)OCC=C

Isomeric SMILES

C=CCOC(=O)OCC1C(CC(O1)N2C=NC3=C2N=C(N=C3N)Cl)OP(=O)(OCCC#N)OCC=C

InChI

InChI=1S/C20H24ClN6O8P/c1-3-7-30-20(28)31-11-14-13(35-36(29,32-8-4-2)33-9-5-6-22)10-15(34-14)27-12-24-16-17(23)25-19(21)26-18(16)27/h3-4,12-15H,1-2,5,7-11H2,(H2,23,25,26)