3-[(6-azanyl-2-butylsulfanyl-purin-9-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(6-azanyl-2-butylsulfanyl-purin-9-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(6-amino-2-butylsulfanyl-purin-9-yl)methyl]benzonitrile CAS Name: 3-[[6-amino-2-(butylthio)-9-purinyl]methyl]benzonitrile IUPAC Name: 3-[(6-amino-2-butylsulfanylpurin-9-yl)methyl]benzonitrile Traditional Name: 3-[[6-amino-2-(butylthio)purin-9-yl]methyl]benzonitrile Formula: C17H18N6S MolecularWeight: 338.43002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H18N6S/c1-2-3-7-24-17-21-15(19)14-16(22-17)23(11-20-14)10-13-6-4-5-12(8-13)9-18/h4-6,8,11H,2-3,7,10H2,1H3,(H2,19,21,22)