8-(2,5-dimethoxyphenyl)sulfanyl-2-fluoranyl-9-(4-methylpent-3-enyl)purin-6-amine

Systemtic Name: 8-(2,5-dimethoxyphenyl)sulfanyl-2-fluoranyl-9-(4-methylpent-3-enyl)purin-6-amine Openeye Name: 8-(2,5-dimethoxyphenyl)sulfanyl-2-fluoro-9-(4-methylpent-3-enyl)purin-6-amine CAS Name: 8-[(2,5-dimethoxyphenyl)thio]-2-fluoro-9-(4-methylpent-3-enyl)-6-purinamine IUPAC Name: 8-(2,5-dimethoxyphenyl)sulfanyl-2-fluoro-9-(4-methylpent-3-enyl)purin-6-amine Traditional Name: [8-[(2,5-dimethoxyphenyl)thio]-2-fluoro-9-(4-methylpent-3-enyl)purin-6-yl]amine Formula: C19H22FN5O2S MolecularWeight: 403.473683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCN1C2=C(C(=NC(=N2)F)N)N=C1SC3=C(C=CC(=C3)OC)OC)C

Isomeric SMILES

CC(=CCCN1C2=C(C(=NC(=N2)F)N)N=C1SC3=C(C=CC(=C3)OC)OC)C

InChI

InChI=1S/C19H22FN5O2S/c1-11(2)6-5-9-25-17-15(16(21)23-18(20)24-17)22-19(25)28-14-10-12(26-3)7-8-13(14)27-4/h6-8,10H,5,9H2,1-4H3,(H2,21,23,24)