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

Systemtic Name: 5-[[2-[(4-chlorophenyl)methyl]-7-methoxy-1-benzofuran-4-yl]methyl]-6-methoxy-pyrimidine-2,4-diamine Openeye Name: 5-[[2-[(4-chlorophenyl)methyl]-7-methoxy-benzofuran-4-yl]methyl]-6-methoxy-pyrimidine-2,4-diamine CAS Name: 5-[[2-[(4-chlorophenyl)methyl]-7-methoxy-4-benzofuranyl]methyl]-6-methoxypyrimidine-2,4-diamine IUPAC Name: 5-[[2-[(4-chlorophenyl)methyl]-7-methoxy-1-benzofuran-4-yl]methyl]-6-methoxypyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-(4-chlorobenzyl)-7-methoxy-benzofuran-4-yl]methyl]-6-methoxy-pyrimidin-4-yl]amine Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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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)Cl

Isomeric SMILES

COC1=C2C(=C(C=C1)CC3=C(N=C(N=C3OC)N)N)C=C(O2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O3/c1-28-18-8-5-13(10-17-20(24)26-22(25)27-21(17)29-2)16-11-15(30-19(16)18)9-12-3-6-14(23)7-4-12/h3-8,11H,9-10H2,1-2H3,(H4,24,25,26,27)