5-[[6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-[(4-nitrophenyl)methyl]benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-(4-nitrobenzyl)benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C22H21N5O5 MolecularWeight: 435.43264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=C1)CC4=CN=C(N=C4N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=C1)CC4=CN=C(N=C4N)N)OC

InChI

InChI=1S/C22H21N5O5/c1-30-18-9-13(8-14-11-25-22(24)26-21(14)23)17-10-16(32-19(17)20(18)31-2)7-12-3-5-15(6-4-12)27(28)29/h3-6,9-11H,7-8H2,1-2H3,(H4,23,24,25,26)