[4-acetyloxy-5-(5-ethyl-1,2-oxazol-3-yl)oxolan-3-yl] 2-[2-chloranyl-6-(pentan-3-ylamino)purin-9-yl]ethanoate

Systemtic Name: [4-acetyloxy-5-(5-ethyl-1,2-oxazol-3-yl)oxolan-3-yl] 2-[2-chloranyl-6-(pentan-3-ylamino)purin-9-yl]ethanoate Openeye Name: [4-acetoxy-5-(5-ethylisoxazol-3-yl)tetrahydrofuran-3-yl] 2-[2-chloro-6-(1-ethylpropylamino)purin-9-yl]acetate CAS Name: 2-[2-chloro-6-(pentan-3-ylamino)-9-purinyl]acetic acid [4-acetyloxy-5-(5-ethyl-3-isoxazolyl)-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-(5-ethyl-1,2-oxazol-3-yl)oxolan-3-yl] 2-[2-chloro-6-(pentan-3-ylamino)purin-9-yl]acetate Traditional Name: 2-[2-chloro-6-(1-ethylpropylamino)purin-9-yl]acetic acid [4-acetoxy-5-(5-ethylisoxazol-3-yl)tetrahydrofuran-3-yl] ester Formula: C23H29ClN6O6 MolecularWeight: 520.96596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NO1)C2C(C(CO2)OC(=O)CN3C=NC4=C3N=C(N=C4NC(CC)CC)Cl)OC(=O)C

Isomeric SMILES

CCC1=CC(=NO1)C2C(C(CO2)OC(=O)CN3C=NC4=C3N=C(N=C4NC(CC)CC)Cl)OC(=O)C

InChI

InChI=1S/C23H29ClN6O6/c1-5-13(6-2)26-21-18-22(28-23(24)27-21)30(11-25-18)9-17(32)35-16-10-33-19(20(16)34-12(4)31)15-8-14(7-3)36-29-15/h8,11,13,16,19-20H,5-7,9-10H2,1-4H3,(H,26,27,28)