6-azanyl-2-(4-oxidanylbutylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(4-oxidanylbutylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(4-hydroxybutylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(4-hydroxybutylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(4-hydroxybutylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(4-hydroxybutylthio)-7H-purin-8-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c17-13-12-14(20-15(19-13)24-9-5-4-8-22)21(16(23)18-12)10-11-6-2-1-3-7-11/h1-3,6-7,22H,4-5,8-10H2,(H,18,23)(H2,17,19,20)