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

Systemtic Name: 9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Openeye Name: 9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine CAS Name: 9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)thio]-6-purinamine IUPAC Name: 9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine Traditional Name: [9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)thio]purin-6-yl]amine Formula: C17H18N6S2 MolecularWeight: 370.49502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=CC=CC(=C4S3)C

Isomeric SMILES

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=CC=CC(=C4S3)C

InChI

InChI=1S/C17H18N6S2/c1-3-4-8-23-15-12(14(18)19-9-20-15)22-16(23)25-17-21-11-7-5-6-10(2)13(11)24-17/h5-7,9H,3-4,8H2,1-2H3,(H2,18,19,20)