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

Systemtic Name: 8-[[6,7-bis(chloranyl)-1,3-benzothiazol-2-yl]sulfanyl]-9-butyl-purin-6-amine Openeye Name: 9-butyl-8-[(6,7-dichloro-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine CAS Name: 9-butyl-8-[(6,7-dichloro-1,3-benzothiazol-2-yl)thio]-6-purinamine IUPAC Name: 9-butyl-8-[(6,7-dichloro-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Traditional Name: [9-butyl-8-[(6,7-dichloro-1,3-benzothiazol-2-yl)thio]purin-6-yl]amine Formula: C16H14Cl2N6S2 MolecularWeight: 425.35856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=C(C=C4)Cl)Cl

InChI

InChI=1S/C16H14Cl2N6S2/c1-2-3-6-24-14-11(13(19)20-7-21-14)23-15(24)26-16-22-9-5-4-8(17)10(18)12(9)25-16/h4-5,7H,2-3,6H2,1H3,(H2,19,20,21)