2-azanyl-9-[(2S,3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2S,3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2S,3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2S,3S,4R)-3,4-bis(hydroxymethyl)-2-thietanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2S,3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2S,3S,4R)-3,4-dimethylolthietan-2-yl]-3H-purin-6-one Formula: C10H13N5O3S MolecularWeight: 283.30692

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(S3)CO)CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@@H]3[C@H]([C@@H](S3)CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C10H13N5O3S/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-4(1-16)5(2-17)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-,9-/m0/s1