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

Systemtic Name: 9-[3-(tert-butylamino)propyl]-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Openeye Name: 9-[3-(tert-butylamino)propyl]-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine CAS Name: 9-[3-(tert-butylamino)propyl]-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-6-purinamine IUPAC Name: 9-[3-(tert-butylamino)propyl]-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Traditional Name: 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]propyl-tert-butyl-amine Formula: C19H22ClN7S2 MolecularWeight: 448.00788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)NCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

InChI

InChI=1S/C19H22ClN7S2/c1-19(2,3)24-8-5-9-27-16-13(15(21)22-10-23-16)26-17(27)29-18-25-12-7-4-6-11(20)14(12)28-18/h4,6-7,10,24H,5,8-9H2,1-3H3,(H2,21,22,23)