2-[2-azanyl-6-[(4-chlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-azanyl-6-[(4-chlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-amino-6-[(4-chlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-amino-6-[(4-chlorophenyl)methylthio]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-amino-6-[(4-chlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-amino-6-[(4-chlorobenzyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H18ClN5O4S MolecularWeight: 423.87392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)Cl

InChI

InChI=1S/C17H18ClN5O4S/c18-9-3-1-8(2-4-9)6-28-15-11-14(21-17(19)22-15)23(7-20-11)16-13(26)12(25)10(5-24)27-16/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,19,21,22)