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

Systemtic Name: 2-butylsulfanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 9-benzyl-2-butylsulfanyl-7H-purin-8-one CAS Name: 2-(butylthio)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 9-benzyl-2-butylsulfanyl-7H-purin-8-one Traditional Name: 9-benzyl-2-(butylthio)-7H-purin-8-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C2C(=N1)N(C(=O)N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NC=C2C(=N1)N(C(=O)N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4OS/c1-2-3-9-22-15-17-10-13-14(19-15)20(16(21)18-13)11-12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3,(H,18,21)