[4-acetyloxy-5-(6-chloranyl-2-iodanyl-purin-9-yl)-2-(propylsulfanylmethyl)oxolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-5-(6-chloranyl-2-iodanyl-purin-9-yl)-2-(propylsulfanylmethyl)oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-(6-chloro-2-iodo-purin-9-yl)-2-(propylsulfanylmethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-(6-chloro-2-iodo-9-purinyl)-2-[(propylthio)methyl]-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-(6-chloro-2-iodopurin-9-yl)-2-(propylsulfanylmethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-(6-chloro-2-iodo-purin-9-yl)-2-[(propylthio)methyl]tetrahydrofuran-3-yl] ester Formula: C17H20ClIN4O5S MolecularWeight: 554.78697

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)I)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCSCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)I)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H20ClIN4O5S/c1-4-5-29-6-10-12(26-8(2)24)13(27-9(3)25)16(28-10)23-7-20-11-14(18)21-17(19)22-15(11)23/h7,10,12-13,16H,4-6H2,1-3H3