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

Systemtic Name: 4-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]butyl ethanoate Openeye Name: 4-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]butyl acetate CAS Name: acetic acid 4-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-purinyl]butyl ester IUPAC Name: 4-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]butyl acetate Traditional Name: acetic acid 4-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]butyl ester Formula: C18H17ClN6O2S2 MolecularWeight: 448.94958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

Isomeric SMILES

CC(=O)OCCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

InChI

InChI=1S/C18H17ClN6O2S2/c1-10(26)27-8-3-2-7-25-16-13(15(20)21-9-22-16)24-17(25)29-18-23-12-6-4-5-11(19)14(12)28-18/h4-6,9H,2-3,7-8H2,1H3,(H2,20,21,22)