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

Systemtic Name: 8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-9-[2-(cyclopropylamino)ethyl]purin-6-amine Openeye Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[2-(cyclopropylamino)ethyl]purin-6-amine CAS Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-[2-(cyclopropylamino)ethyl]-6-purinamine IUPAC Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[2-(cyclopropylamino)ethyl]purin-6-amine Traditional Name: 2-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]ethyl-cyclopropyl-amine Formula: C17H16ClN7S2 MolecularWeight: 417.93884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCCN2C3=C(C(=NC=N3)N)N=C2SC4=NC5=C(S4)C(=CC=C5)Cl

Isomeric SMILES

C1CC1NCCN2C3=C(C(=NC=N3)N)N=C2SC4=NC5=C(S4)C(=CC=C5)Cl

InChI

InChI=1S/C17H16ClN7S2/c18-10-2-1-3-11-13(10)26-17(23-11)27-16-24-12-14(19)21-8-22-15(12)25(16)7-6-20-9-4-5-9/h1-3,8-9,20H,4-7H2,(H2,19,21,22)