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

Systemtic Name: 3-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]propyl methanesulfonate Openeye Name: 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-purinyl]propyl ester IUPAC Name: 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]propyl ester Formula: C16H15ClN6O3S3 MolecularWeight: 470.9767

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)OCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

InChI

InChI=1S/C16H15ClN6O3S3/c1-29(24,25)26-7-3-6-23-14-11(13(18)19-8-20-14)22-15(23)28-16-21-10-5-2-4-9(17)12(10)27-16/h2,4-5,8H,3,6-7H2,1H3,(H2,18,19,20)