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

Systemtic Name: 2-[8-(ethylaminosulfanyl)-6-oxidanyl-6-(phenylmethyl)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-benzyl-8-(ethylaminosulfanyl)-6-hydroxy-3H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-N-ethyl-6-hydroxy-6-(phenylmethyl)-3H-purine-8-sulfenamide IUPAC Name: 2-[6-benzyl-8-(ethylaminosulfanyl)-6-hydroxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-benzyl-8-(ethylaminothio)-6-hydroxy-3H-purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CCNSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2(CC4=CC=CC=C4)O

Isomeric SMILES

CCNSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2(CC4=CC=CC=C4)O

InChI

InChI=1S/C19H25N5O5S/c1-2-22-30-18-23-15-16(24(18)17-14(27)13(26)12(9-25)29-17)20-10-21-19(15,28)8-11-6-4-3-5-7-11/h3-7,10,12-14,17,22,25-28H,2,8-9H2,1H3,(H,20,21)