6-azanyl-2-(1-oxidanylbutylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(1-oxidanylbutylsulfanyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(1-hydroxybutylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-(1-hydroxybutylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(1-hydroxybutylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(1-hydroxybutylthio)-7H-purin-8-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(O)SC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCCC(O)SC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O2S/c1-2-6-11(22)24-15-19-13(17)12-14(20-15)21(16(23)18-12)9-10-7-4-3-5-8-10/h3-5,7-8,11,22H,2,6,9H2,1H3,(H,18,23)(H2,17,19,20)