2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl]isoindole-1,3-dithione

Systemtic Name: 2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl]isoindole-1,3-dithione Openeye Name: 2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-dithione CAS Name: 2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl]isoindole-1,3-dithione IUPAC Name: 2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl]isoindole-1,3-dithione Traditional Name: 2-[[(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-dithione Formula: C18H16N6O2S2 MolecularWeight: 412.48864

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)CN4C(=S)C5=CC=CC=C5C4=S)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CN4C(=S)C5=CC=CC=C5C4=S)O

InChI

InChI=1S/C18H16N6O2S2/c19-15-14-16(21-7-20-15)24(8-22-14)13-5-11(25)12(26-13)6-23-17(27)9-3-1-2-4-10(9)18(23)28/h1-4,7-8,11-13,25H,5-6H2,(H2,19,20,21)/t11-,12+,13+/m0/s1