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

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

Systemtic Name:9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfonyl-purin-6-amine
Openeye Name:9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfonyl-purin-6-amine
CAS Name:9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfonyl-6-purinamine
IUPAC Name:9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfonylpurin-6-amine
Traditional Name:[9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfonyl-purin-6-yl]amine
Formula: C19H21N5O5S
MolecularWeight: 431.46554
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)S(=O)(=O)C2=NC3=C(N2CCCC#C)N=CN=C3N


Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)S(=O)(=O)C2=NC3=C(N2CCCC#C)N=CN=C3N


InChI

InChI=1S/C19H21N5O5S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)30(25,26)12-9-13(27-2)16(29-4)14(10-12)28-3/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22)


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