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

Systemtic Name: 9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purine-2,6-diamine Openeye Name: 9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purine-2,6-diamine CAS Name: 9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)thio]purine-2,6-diamine IUPAC Name: 9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurine-2,6-diamine Traditional Name: [2-amino-9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2CCCC#C)N=C(N=C3N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=NC3=C(N2CCCC#C)N=C(N=C3N)N

InChI

InChI=1S/C19H22N6O3S/c1-5-6-7-8-25-17-14(16(20)23-18(21)24-17)22-19(25)29-11-9-12(26-2)15(28-4)13(10-11)27-3/h1,9-10H,6-8H2,2-4H3,(H4,20,21,23,24)