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

Systemtic Name: 6-azanyl-2-butan-2-ylsulfanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-sec-butylsulfanyl-7H-purin-8-one CAS Name: 6-amino-2-(butan-2-ylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-butan-2-ylsulfanyl-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(sec-butylthio)-7H-purin-8-one Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5OS/c1-3-10(2)23-15-19-13(17)12-14(20-15)21(16(22)18-12)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,18,22)(H2,17,19,20)