2-[8-(cyclopentylamino)sulfanyl-6-oxidanyl-6-(phenylmethyl)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[8-(cyclopentylamino)sulfanyl-6-oxidanyl-6-(phenylmethyl)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-benzyl-8-(cyclopentylamino)sulfanyl-6-hydroxy-3H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: N-cyclopentyl-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-hydroxy-6-(phenylmethyl)-3H-purine-8-sulfenamide IUPAC Name: 2-[6-benzyl-8-(cyclopentylamino)sulfanyl-6-hydroxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-benzyl-8-[(cyclopentylamino)thio]-6-hydroxy-3H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(C1)NSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

InChI

InChI=1S/C22H29N5O5S/c28-11-15-16(29)17(30)20(32-15)27-19-18(25-21(27)33-26-14-8-4-5-9-14)22(31,24-12-23-19)10-13-6-2-1-3-7-13/h1-3,6-7,12,14-17,20,26,28-31H,4-5,8-11H2,(H,23,24)