5-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]pentanenitrile

Systemtic Name: 5-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]pentanenitrile Openeye Name: 5-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]pentanenitrile CAS Name: 5-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-purinyl]pentanenitrile IUPAC Name: 5-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]pentanenitrile Traditional Name: 5-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]valeronitrile Formula: C17H14ClN7S2 MolecularWeight: 415.92296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)SC(=N2)SC3=NC4=C(N3CCCCC#N)N=CN=C4N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)SC(=N2)SC3=NC4=C(N3CCCCC#N)N=CN=C4N

InChI

InChI=1S/C17H14ClN7S2/c18-10-5-4-6-11-13(10)26-17(23-11)27-16-24-12-14(20)21-9-22-15(12)25(16)8-3-1-2-7-19/h4-6,9H,1-3,8H2,(H2,20,21,22)