9-[2-(tert-butylamino)ethyl]-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine

Systemtic Name: 9-[2-(tert-butylamino)ethyl]-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Openeye Name: 9-[2-(tert-butylamino)ethyl]-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine CAS Name: 9-[2-(tert-butylamino)ethyl]-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-6-purinamine IUPAC Name: 9-[2-(tert-butylamino)ethyl]-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Traditional Name: 2-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]ethyl-tert-butyl-amine Formula: C18H20ClN7S2 MolecularWeight: 433.9813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)NCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

InChI

InChI=1S/C18H20ClN7S2/c1-18(2,3)23-7-8-26-15-12(14(20)21-9-22-15)25-16(26)28-17-24-11-6-4-5-10(19)13(11)27-17/h4-6,9,23H,7-8H2,1-3H3,(H2,20,21,22)