2-[6-(cyclopentylamino)-2-phenylsulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(cyclopentylamino)-2-phenylsulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(cyclopentylamino)-2-phenylsulfanyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(cyclopentylamino)-2-(phenylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(cyclopentylamino)-2-phenylsulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(cyclopentylamino)-2-(phenylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)SC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)SC5=CC=CC=C5

InChI

InChI=1S/C21H25N5O4S/c27-10-14-16(28)17(29)20(30-14)26-11-22-15-18(23-12-6-4-5-7-12)24-21(25-19(15)26)31-13-8-2-1-3-9-13/h1-3,8-9,11-12,14,16-17,20,27-29H,4-7,10H2,(H,23,24,25)