2-azanyl-9-[(4R,5S,8R)-4-oxidanyl-9-thiaspiro[4.4]nonan-8-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(4R,5S,8R)-4-oxidanyl-9-thiaspiro[4.4]nonan-8-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(4R,5S,8R)-4-hydroxy-9-thiaspiro[4.4]nonan-8-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(4R,5S,8R)-4-hydroxy-9-thiaspiro[4.4]nonan-8-yl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(4R,5S,8R)-4-hydroxy-9-thiaspiro[4.4]nonan-8-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(4R,5S,8R)-4-hydroxy-9-thiaspiro[4.4]nonan-8-yl]-3H-purin-6-one Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2(C1)CCC(S2)N3C=NC4=C3NC(=NC4=O)N)O

Isomeric SMILES

C1C[C@H]([C@]2(C1)CC[C@@H](S2)N3C=NC4=C3NC(=NC4=O)N)O

InChI

InChI=1S/C13H17N5O2S/c14-12-16-10-9(11(20)17-12)15-6-18(10)8-3-5-13(21-8)4-1-2-7(13)19/h6-8,19H,1-5H2,(H3,14,16,17,20)/t7-,8-,13+/m1/s1