2-[6-azanyl-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-8-(4-chlorophenyl)sulfanyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-8-[(4-chlorophenyl)thio]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-8-[(4-chlorophenyl)thio]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H16ClN5O4S MolecularWeight: 409.84734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N)Cl

InChI

InChI=1S/C16H16ClN5O4S/c17-7-1-3-8(4-2-7)27-16-21-10-13(18)19-6-20-14(10)22(16)15-12(25)11(24)9(5-23)26-15/h1-4,6,9,11-12,15,23-25H,5H2,(H2,18,19,20)