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

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-2-fluoranyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-2-fluoro-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-2-fluoro-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-2-fluoro-9-pent-4-ynylpurin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-2-fluoro-9-pent-4-ynyl-purin-6-yl]amine Formula: C18H18FN5O2S MolecularWeight: 387.431223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CCCC#C)N=C(N=C3N)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CCCC#C)N=C(N=C3N)F

InChI

InChI=1S/C18H18FN5O2S/c1-4-5-6-9-24-16-14(15(20)22-17(19)23-16)21-18(24)27-13-10-11(25-2)7-8-12(13)26-3/h1,7-8,10H,5-6,9H2,2-3H3,(H2,20,22,23)