methyl 2-[[(4-chloranylphenoxy)-[(4R,5R)-4-methyl-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-phosphoryl]amino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[(4-chloranylphenoxy)-[(4R,5R)-4-methyl-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-phosphoryl]amino]-2-methyl-propanoate Openeye Name: methyl 2-[[(4-chlorophenoxy)-[(4R,5R)-3,4-dihydroxy-4-methyl-5-[6-(methylamino)purin-9-yl]tetrahydrofuran-2-yl]oxy-phosphoryl]amino]-2-methyl-propanoate CAS Name: 2-[[(4-chlorophenoxy)-[[(4R,5R)-3,4-dihydroxy-4-methyl-5-[6-(methylamino)-9-purinyl]-2-oxolanyl]oxy]phosphoryl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(4-chlorophenoxy)-[(4R,5R)-3,4-dihydroxy-4-methyl-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]oxyphosphoryl]amino]-2-methylpropanoate Traditional Name: 2-[[(4-chlorophenoxy)-[(4R,5R)-3,4-dihydroxy-4-methyl-5-[6-(methylamino)purin-9-yl]tetrahydrofuran-2-yl]oxy-phosphoryl]amino]-2-methyl-propionic acid methyl ester Formula: C22H28ClN6O8P MolecularWeight: 570.919881

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1N2C=NC3=C2N=CN=C3NC)OP(=O)(NC(C)(C)C(=O)OC)OC4=CC=C(C=C4)Cl)O)O

Isomeric SMILES

C[C@@]1([C@@H](OC(C1O)OP(=O)(NC(C)(C)C(=O)OC)OC2=CC=C(C=C2)Cl)N3C=NC4=C3N=CN=C4NC)O

InChI

InChI=1S/C22H28ClN6O8P/c1-21(2,20(31)34-5)28-38(33,36-13-8-6-12(23)7-9-13)37-18-15(30)22(3,32)19(35-18)29-11-27-14-16(24-4)25-10-26-17(14)29/h6-11,15,18-19,30,32H,1-5H3,(H,28,33)(H,24,25,26)/t15?,18?,19-,22-,38?/m1/s1