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

Systemtic Name: 8-(2,5-dimethoxy-3-phenyl-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-(2,5-dimethoxy-3-phenyl-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(2,5-dimethoxy-3-phenylphenyl)thio]-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-(2,5-dimethoxy-3-phenylphenyl)sulfanyl-9-pent-4-ynylpurin-6-amine Traditional Name: [8-[(2,5-dimethoxy-3-phenyl-phenyl)thio]-9-pent-4-ynyl-purin-6-yl]amine Formula: C24H23N5O2S MolecularWeight: 445.53672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2=CC=CC=C2)OC)SC3=NC4=C(N3CCCC#C)N=CN=C4N

Isomeric SMILES

COC1=CC(=C(C(=C1)C2=CC=CC=C2)OC)SC3=NC4=C(N3CCCC#C)N=CN=C4N

InChI

InChI=1S/C24H23N5O2S/c1-4-5-9-12-29-23-20(22(25)26-15-27-23)28-24(29)32-19-14-17(30-2)13-18(21(19)31-3)16-10-7-6-8-11-16/h1,6-8,10-11,13-15H,5,9,12H2,2-3H3,(H2,25,26,27)