5-[[2-[(6-fluoranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[2-[(6-fluoranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-[(6-fluoro-1H-indol-3-yl)methyl]-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-[(6-fluoro-1H-indol-3-yl)methyl]-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-[(6-fluoro-1H-indol-3-yl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-[(6-fluoro-1H-indol-3-yl)methyl]-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C24H22FN5O3 MolecularWeight: 447.461583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CC3=CNC4=C3C=CC(=C4)F)C(=C1)CC5=CN=C(N=C5N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CC3=CNC4=C3C=CC(=C4)F)C(=C1)CC5=CN=C(N=C5N)N)OC

InChI

InChI=1S/C24H22FN5O3/c1-31-20-7-12(5-14-11-29-24(27)30-23(14)26)18-9-16(33-21(18)22(20)32-2)6-13-10-28-19-8-15(25)3-4-17(13)19/h3-4,7-11,28H,5-6H2,1-2H3,(H4,26,27,29,30)