4-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]butan-1-ol

Systemtic Name: 4-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]butan-1-ol Openeye Name: 4-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]butan-1-ol CAS Name: 4-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-purinyl]-1-butanol IUPAC Name: 4-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]butan-1-ol Traditional Name: 4-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]butan-1-ol Formula: C16H15ClN6OS2 MolecularWeight: 406.9129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)SC(=N2)SC3=NC4=C(N3CCCCO)N=CN=C4N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)SC(=N2)SC3=NC4=C(N3CCCCO)N=CN=C4N

InChI

InChI=1S/C16H15ClN6OS2/c17-9-4-3-5-10-12(9)25-16(21-10)26-15-22-11-13(18)19-8-20-14(11)23(15)6-1-2-7-24/h3-5,8,24H,1-2,6-7H2,(H2,18,19,20)