[5-[2-chloranyl-6-(piperidin-1-ylamino)purin-9-yl]-2-methyl-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate

Systemtic Name: [5-[2-chloranyl-6-(piperidin-1-ylamino)purin-9-yl]-2-methyl-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate Openeye Name: [4-benzoyloxy-5-[2-chloro-6-(1-piperidylamino)purin-9-yl]-2-methyl-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [4-benzoyloxy-5-[2-chloro-6-(1-piperidinylamino)-9-purinyl]-2-methyl-3-oxolanyl] ester IUPAC Name: [4-benzoyloxy-5-[2-chloro-6-(piperidin-1-ylamino)purin-9-yl]-2-methyloxolan-3-yl] benzoate Traditional Name: benzoic acid [4-benzoyloxy-5-[2-chloro-6-(piperidinoamino)purin-9-yl]-2-methyl-tetrahydrofuran-3-yl] ester Formula: C29H29ClN6O5 MolecularWeight: 577.03076

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NN4CCCCC4)Cl)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NN4CCCCC4)Cl)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H29ClN6O5/c1-18-22(40-27(37)19-11-5-2-6-12-19)23(41-28(38)20-13-7-3-8-14-20)26(39-18)36-17-31-21-24(32-29(30)33-25(21)36)34-35-15-9-4-10-16-35/h2-3,5-8,11-14,17-18,22-23,26H,4,9-10,15-16H2,1H3,(H,32,33,34)