2-fluoranyl-9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 2-fluoranyl-9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 2-fluoro-9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 2-fluoro-9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)thio]-6-purinamine IUPAC Name: 2-fluoro-9-pent-4-ynyl-8-(3,4,5-trimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [2-fluoro-9-pent-4-ynyl-8-[(3,4,5-trimethoxyphenyl)thio]purin-6-yl]amine Formula: C19H20FN5O3S MolecularWeight: 417.457203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O3S/c1-5-6-7-8-25-17-14(16(21)23-18(20)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,(H2,21,23,24)