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

Systemtic Name: 2-azanyl-6-(2-hydroxyethylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 2-amino-9-benzyl-6-(2-hydroxyethylsulfanyl)-7H-purin-8-one CAS Name: 2-amino-6-(2-hydroxyethylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 2-amino-9-benzyl-6-(2-hydroxyethylsulfanyl)-7H-purin-8-one Traditional Name: 2-amino-9-benzyl-6-(2-hydroxyethylthio)-7H-purin-8-one Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O2S/c15-13-17-11-10(12(18-13)22-7-6-20)16-14(21)19(11)8-9-4-2-1-3-5-9/h1-5,20H,6-8H2,(H,16,21)(H2,15,17,18)