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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

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