2-[6-(3,4-dihydro-2H-thiochromen-3-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(3,4-dihydro-2H-thiochromen-3-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(thiochroman-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-[6-(3,4-dihydro-2H-1-benzothiopyran-3-ylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(3,4-dihydro-2H-thiochromen-3-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(thiochroman-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC2=CC=CC=C21)NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1C(CSC2=CC=CC=C21)NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C19H21N5O4S/c25-6-12-15(26)16(27)19(28-12)24-9-22-14-17(20-8-21-18(14)24)23-11-5-10-3-1-2-4-13(10)29-7-11/h1-4,8-9,11-12,15-16,19,25-27H,5-7H2,(H,20,21,23)