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

Systemtic Name: 2-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]ethyl ethanoate Openeye Name: 2-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]ethyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 2-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]ethyl ester Formula: C16H13ClN6O2S2 MolecularWeight: 420.89642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN6O2S2/c1-8(24)25-6-5-23-14-11(13(18)19-7-20-14)22-15(23)27-16-21-10-4-2-3-9(17)12(10)26-16/h2-4,7H,5-6H2,1H3,(H2,18,19,20)