[4-acetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)-2-(propan-2-ylsulfanylmethyl)oxolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-5-(2-azanyl-6-chloranyl-purin-9-yl)-2-(propan-2-ylsulfanylmethyl)oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-(2-amino-6-chloro-purin-9-yl)-2-(isopropylsulfanylmethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-(2-amino-6-chloro-9-purinyl)-2-[(propan-2-ylthio)methyl]-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-(2-amino-6-chloropurin-9-yl)-2-(propan-2-ylsulfanylmethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-(2-amino-6-chloro-purin-9-yl)-2-[(isopropylthio)methyl]tetrahydrofuran-3-yl] ester Formula: C17H22ClN5O5S MolecularWeight: 443.90508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(C)SCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H22ClN5O5S/c1-7(2)29-5-10-12(26-8(3)24)13(27-9(4)25)16(28-10)23-6-20-11-14(18)21-17(19)22-15(11)23/h6-7,10,12-13,16H,5H2,1-4H3,(H2,19,21,22)