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

Systemtic Name: 2-[8-(cyclopropylamino)sulfanyl-6-oxidanyl-6-(phenylmethyl)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-benzyl-8-(cyclopropylamino)sulfanyl-6-hydroxy-3H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: N-cyclopropyl-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-hydroxy-6-(phenylmethyl)-3H-purine-8-sulfenamide IUPAC Name: 2-[6-benzyl-8-(cyclopropylamino)sulfanyl-6-hydroxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-benzyl-8-[(cyclopropylamino)thio]-6-hydroxy-3H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

Isomeric SMILES

C1CC1NSC2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC=NC3(CC5=CC=CC=C5)O

InChI

InChI=1S/C20H25N5O5S/c26-9-13-14(27)15(28)18(30-13)25-17-16(23-19(25)31-24-12-6-7-12)20(29,22-10-21-17)8-11-4-2-1-3-5-11/h1-5,10,12-15,18,24,26-29H,6-9H2,(H,21,22)