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

Systemtic Name: 5-[[6,7-dimethoxy-2-[(5-nitro-1H-indol-3-yl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-[(5-nitro-1H-indol-3-yl)methyl]benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-[(5-nitro-1H-indol-3-yl)methyl]-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-[(5-nitro-1H-indol-3-yl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-[(5-nitro-1H-indol-3-yl)methyl]benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C24H22N6O5 MolecularWeight: 474.46868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CC3=CNC4=C3C=C(C=C4)[N+](=O)[O-])C(=C1)CC5=CN=C(N=C5N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CC3=CNC4=C3C=C(C=C4)[N+](=O)[O-])C(=C1)CC5=CN=C(N=C5N)N)OC

InChI

InChI=1S/C24H22N6O5/c1-33-20-7-12(5-14-11-28-24(26)29-23(14)25)18-9-16(35-21(18)22(20)34-2)6-13-10-27-19-4-3-15(30(31)32)8-17(13)19/h3-4,7-11,27H,5-6H2,1-2H3,(H4,25,26,28,29)