9-butyl-8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfanyl-purine-2,6-diamine

Systemtic Name: 9-butyl-8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfanyl-purine-2,6-diamine Openeye Name: 9-butyl-8-(2-chloro-3,4,5-trimethoxy-phenyl)sulfanyl-purine-2,6-diamine CAS Name: 9-butyl-8-[(2-chloro-3,4,5-trimethoxyphenyl)thio]purine-2,6-diamine IUPAC Name: 9-butyl-8-(2-chloro-3,4,5-trimethoxyphenyl)sulfanylpurine-2,6-diamine Traditional Name: [2-amino-9-butyl-8-[(2-chloro-3,4,5-trimethoxy-phenyl)thio]purin-6-yl]amine Formula: C18H23ClN6O3S MolecularWeight: 438.93162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN6O3S/c1-5-6-7-25-16-12(15(20)23-17(21)24-16)22-18(25)29-10-8-9(26-2)13(27-3)14(28-4)11(10)19/h8H,5-7H2,1-4H3,(H4,20,21,23,24)