2-azanyl-9-[(1R)-1-(2-hydroxyethylsulfanyl)-3-oxidanyl-propyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1R)-1-(2-hydroxyethylsulfanyl)-3-oxidanyl-propyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R)-3-hydroxy-1-(2-hydroxyethylsulfanyl)propyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R)-3-hydroxy-1-(2-hydroxyethylthio)propyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R)-3-hydroxy-1-(2-hydroxyethylsulfanyl)propyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R)-3-hydroxy-1-(2-hydroxyethylthio)propyl]-3H-purin-6-one Formula: C10H15N5O3S MolecularWeight: 285.3228

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C(CCO)SCCO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@@H](CCO)SCCO)NC(=NC2=O)N

InChI

InChI=1S/C10H15N5O3S/c11-10-13-8-7(9(18)14-10)12-5-15(8)6(1-2-16)19-4-3-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)/t6-/m1/s1