9-butyl-8-(3,4,5-trimethoxyphenyl)sulfonyl-purin-6-amine

Systemtic Name: 9-butyl-8-(3,4,5-trimethoxyphenyl)sulfonyl-purin-6-amine Openeye Name: 9-butyl-8-(3,4,5-trimethoxyphenyl)sulfonyl-purin-6-amine CAS Name: 9-butyl-8-(3,4,5-trimethoxyphenyl)sulfonyl-6-purinamine IUPAC Name: 9-butyl-8-(3,4,5-trimethoxyphenyl)sulfonylpurin-6-amine Traditional Name: [9-butyl-8-(3,4,5-trimethoxyphenyl)sulfonyl-purin-6-yl]amine Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5S/c1-5-6-7-23-17-14(16(19)20-10-21-17)22-18(23)29(24,25)11-8-12(26-2)15(28-4)13(9-11)27-3/h8-10H,5-7H2,1-4H3,(H2,19,20,21)