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

Systemtic Name: 9-butyl-8-[(4-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Openeye Name: 9-butyl-8-[(4-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine CAS Name: 9-butyl-8-[(4-chloro-1,3-benzothiazol-2-yl)thio]-6-purinamine IUPAC Name: 9-butyl-8-[(4-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Traditional Name: [9-butyl-8-[(4-chloro-1,3-benzothiazol-2-yl)thio]purin-6-yl]amine Formula: C16H15ClN6S2 MolecularWeight: 390.9135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C16H15ClN6S2/c1-2-3-7-23-14-12(13(18)19-8-20-14)21-15(23)25-16-22-11-9(17)5-4-6-10(11)24-16/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)