[(2S,3S,4R,5R)-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-4-hexanoyloxy-2-(methylcarbamoyl)oxolan-3-yl] hexanoate

Systemtic Name: [(2S,3S,4R,5R)-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-4-hexanoyloxy-2-(methylcarbamoyl)oxolan-3-yl] hexanoate Openeye Name: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-4-hexanoyloxy-2-(methylcarbamoyl)tetrahydrofuran-3-yl] hexanoate CAS Name: hexanoic acid [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-2-(methylcarbamoyl)-4-(1-oxohexoxy)-3-oxolanyl] ester IUPAC Name: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-4-hexanoyloxy-2-(methylcarbamoyl)oxolan-3-yl] hexanoate Traditional Name: hexanoic acid [(2S,3S,4R,5R)-4-caproyloxy-5-[2-chloro-6-[(3-iodobenzyl)amino]purin-9-yl]-2-(methylcarbamoyl)tetrahydrofuran-3-yl] ester Formula: C30H38ClIN6O6 MolecularWeight: 741.01679

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1C(C(OC1C(=O)NC)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)O[C@H]1[C@H]([C@@H](O[C@@H]1C(=O)NC)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl)OC(=O)CCCCC

InChI

InChI=1S/C30H38ClIN6O6/c1-4-6-8-13-20(39)42-23-24(28(41)33-3)44-29(25(23)43-21(40)14-9-7-5-2)38-17-35-22-26(36-30(31)37-27(22)38)34-16-18-11-10-12-19(32)15-18/h10-12,15,17,23-25,29H,4-9,13-14,16H2,1-3H3,(H,33,41)(H,34,36,37)/t23-,24+,25-,29-/m1/s1