2-azanyl-7-[2-(1-hydroxyethylsulfanyl)ethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-7-[2-(1-hydroxyethylsulfanyl)ethyl]-3H-purin-6-one Openeye Name: 2-amino-7-[2-(1-hydroxyethylsulfanyl)ethyl]-3H-purin-6-one CAS Name: 2-amino-7-[2-(1-hydroxyethylthio)ethyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[2-(1-hydroxyethylsulfanyl)ethyl]-3H-purin-6-one Traditional Name: 2-amino-7-[2-(1-hydroxyethylthio)ethyl]-3H-purin-6-one Formula: C9H13N5O2S MolecularWeight: 255.29682

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)SCCN1C=NC2=C1C(=O)N=C(N2)N

Isomeric SMILES

CC(O)SCCN1C=NC2=C1C(=O)N=C(N2)N

InChI

InChI=1S/C9H13N5O2S/c1-5(15)17-3-2-14-4-11-7-6(14)8(16)13-9(10)12-7/h4-5,15H,2-3H2,1H3,(H3,10,12,13,16)