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

Systemtic Name: 9-butyl-8-[(7-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Openeye Name: 9-butyl-8-[(7-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine CAS Name: 9-butyl-8-[(7-ethoxy-1,3-benzothiazol-2-yl)thio]-6-purinamine IUPAC Name: 9-butyl-8-[(7-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Traditional Name: [9-butyl-8-[(7-ethoxy-1,3-benzothiazol-2-yl)thio]purin-6-yl]amine Formula: C18H20N6OS2 MolecularWeight: 400.521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6OS2/c1-3-5-9-24-16-13(15(19)20-10-21-16)23-17(24)27-18-22-11-7-6-8-12(25-4-2)14(11)26-18/h6-8,10H,3-5,9H2,1-2H3,(H2,19,20,21)