9-butyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purine-2,6-diamine

Systemtic Name: 9-butyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purine-2,6-diamine Openeye Name: 9-butyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purine-2,6-diamine CAS Name: 9-butyl-8-[(3,4,5-trimethoxyphenyl)thio]purine-2,6-diamine IUPAC Name: 9-butyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurine-2,6-diamine Traditional Name: [2-amino-9-butyl-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O3S/c1-5-6-7-24-16-13(15(19)22-17(20)23-16)21-18(24)28-10-8-11(25-2)14(27-4)12(9-10)26-3/h8-9H,5-7H2,1-4H3,(H4,19,20,22,23)