6-azanyl-2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]-7H-purin-8-one CAS Name: 6-amino-2-[2-(2-hydroxyethylthio)ethylthio]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-[2-(2-hydroxyethylthio)ethylthio]-7H-purin-8-one Formula: C16H19N5O2S2 MolecularWeight: 377.48436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCSCCO)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)SCCSCCO)N)NC2=O

InChI

InChI=1S/C16H19N5O2S2/c17-13-12-14(20-15(19-13)25-9-8-24-7-6-22)21(16(23)18-12)10-11-4-2-1-3-5-11/h1-5,22H,6-10H2,(H,18,23)(H2,17,19,20)