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

Systemtic Name: 5-[[6,7-dimethoxy-2-(pyridin-4-ylmethyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-(4-pyridylmethyl)benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-(pyridin-4-ylmethyl)-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-(pyridin-4-ylmethyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-(4-pyridylmethyl)benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-27-17-9-13(8-14-11-25-21(23)26-20(14)22)16-10-15(29-18(16)19(17)28-2)7-12-3-5-24-6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H4,22,23,25,26)