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

Systemtic Name: 3-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]propan-1-ol Openeye Name: 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]propan-1-ol CAS Name: 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-purinyl]-1-propanol IUPAC Name: 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]propan-1-ol Traditional Name: 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]propan-1-ol Formula: C15H13ClN6OS2 MolecularWeight: 392.88632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)SC(=N2)SC3=NC4=C(N3CCCO)N=CN=C4N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)SC(=N2)SC3=NC4=C(N3CCCO)N=CN=C4N

InChI

InChI=1S/C15H13ClN6OS2/c16-8-3-1-4-9-11(8)24-15(20-9)25-14-21-10-12(17)18-7-19-13(10)22(14)5-2-6-23/h1,3-4,7,23H,2,5-6H2,(H2,17,18,19)