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

Systemtic Name: 8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine Openeye Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[3-(isopropylamino)propyl]purin-6-amine CAS Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-[3-(propan-2-ylamino)propyl]-6-purinamine IUPAC Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine Traditional Name: 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]propyl-isopropyl-amine Formula: C18H20ClN7S2 MolecularWeight: 433.9813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN7S2/c1-10(2)21-7-4-8-26-16-13(15(20)22-9-23-16)25-17(26)28-18-24-12-6-3-5-11(19)14(12)27-18/h3,5-6,9-10,21H,4,7-8H2,1-2H3,(H2,20,22,23)