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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC2=C1NC(=O)N2CC3=CC=CC=C3)N

Isomeric SMILES

CCCCSC1=NC(=NC2=C1NC(=O)N2CC3=CC=CC=C3)N

InChI

InChI=1S/C16H19N5OS/c1-2-3-9-23-14-12-13(19-15(17)20-14)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)