[2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] methanesulfonate

Systemtic Name: [2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] methanesulfonate Openeye Name: [2-(6-amino-2-chloro-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(6-amino-2-chloro-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [2-(6-amino-2-chloropurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(6-amino-2-chloro-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester Formula: C11H14ClN5O6S MolecularWeight: 379.77676

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O

Isomeric SMILES

CS(=O)(=O)OC1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O

InChI

InChI=1S/C11H14ClN5O6S/c1-24(20,21)23-7-6(19)4(2-18)22-10(7)17-3-14-5-8(13)15-11(12)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16)