9-butyl-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-butyl-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-butyl-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-butyl-8-[(2,5-dimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-butyl-8-(2,5-dimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-butyl-8-[(2,5-dimethoxyphenyl)thio]purin-6-yl]amine Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C17H21N5O2S/c1-4-5-8-22-16-14(15(18)19-10-20-16)21-17(22)25-13-9-11(23-2)6-7-12(13)24-3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,19,20)