5-[(9-butylpurin-6-yl)sulfanylmethyl]-2,1-benzothiazole

Systemtic Name: 5-[(9-butylpurin-6-yl)sulfanylmethyl]-2,1-benzothiazole Openeye Name: 5-[(9-butylpurin-6-yl)sulfanylmethyl]-2,1-benzothiazole CAS Name: 5-[[(9-butyl-6-purinyl)thio]methyl]-2,1-benzothiazole IUPAC Name: 5-[(9-butylpurin-6-yl)sulfanylmethyl]-2,1-benzothiazole Traditional Name: 5-[[(9-butylpurin-6-yl)thio]methyl]-2,1-benzothiazole Formula: C17H17N5S2 MolecularWeight: 355.48038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=CN=C2SCC3=CC4=CSN=C4C=C3

Isomeric SMILES

CCCCN1C=NC2=C1N=CN=C2SCC3=CC4=CSN=C4C=C3

InChI

InChI=1S/C17H17N5S2/c1-2-3-6-22-11-20-15-16(22)18-10-19-17(15)23-8-12-4-5-14-13(7-12)9-24-21-14/h4-5,7,9-11H,2-3,6,8H2,1H3