9-butyl-8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfonyl-purin-6-amine

Systemtic Name: 9-butyl-8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfonyl-purin-6-amine Openeye Name: 9-butyl-8-(2-chloro-3,4,5-trimethoxy-phenyl)sulfonyl-purin-6-amine CAS Name: 9-butyl-8-(2-chloro-3,4,5-trimethoxyphenyl)sulfonyl-6-purinamine IUPAC Name: 9-butyl-8-(2-chloro-3,4,5-trimethoxyphenyl)sulfonylpurin-6-amine Traditional Name: [9-butyl-8-(2-chloro-3,4,5-trimethoxy-phenyl)sulfonyl-purin-6-yl]amine Formula: C18H22ClN5O5S MolecularWeight: 455.91578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC=N2)N)N=C1S(=O)(=O)C3=C(C(=C(C(=C3)OC)OC)OC)Cl

Isomeric SMILES

CCCCN1C2=C(C(=NC=N2)N)N=C1S(=O)(=O)C3=C(C(=C(C(=C3)OC)OC)OC)Cl

InChI

InChI=1S/C18H22ClN5O5S/c1-5-6-7-24-17-13(16(20)21-9-22-17)23-18(24)30(25,26)11-8-10(27-2)14(28-3)15(29-4)12(11)19/h8-9H,5-7H2,1-4H3,(H2,20,21,22)