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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)CC3=C(N=C(N=C3OC)N)N)C=C(O2)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C2C(=C(C=C1)CC3=C(N=C(N=C3OC)N)N)C=C(O2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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