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

Systemtic Name: 5-[[2-[(4-aminophenyl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-[(4-aminophenyl)methyl]-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-[(4-aminophenyl)methyl]-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-[(4-aminophenyl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-(4-aminobenzyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CC3=CC=C(C=C3)N)C(=C1)CC4=CN=C(N=C4N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CC3=CC=C(C=C3)N)C(=C1)CC4=CN=C(N=C4N)N)OC

InChI

InChI=1S/C22H23N5O3/c1-28-18-9-13(8-14-11-26-22(25)27-21(14)24)17-10-16(30-19(17)20(18)29-2)7-12-3-5-15(23)6-4-12/h3-6,9-11H,7-8,23H2,1-2H3,(H4,24,25,26,27)