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

Systemtic Name: 2-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]ethyl methanesulfonate Openeye Name: 2-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-purinyl]ethyl ester IUPAC Name: 2-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]ethyl ester Formula: C15H13ClN6O3S3 MolecularWeight: 456.95012

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)OCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

InChI

InChI=1S/C15H13ClN6O3S3/c1-28(23,24)25-6-5-22-13-10(12(17)18-7-19-13)21-14(22)27-15-20-9-4-2-3-8(16)11(9)26-15/h2-4,7H,5-6H2,1H3,(H2,17,18,19)