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

Systemtic Name: 5-[[6,7-dimethoxy-2-(pyrrol-1-ylmethyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-(pyrrol-1-ylmethyl)benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-(1-pyrrolylmethyl)-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-(pyrrol-1-ylmethyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-(pyrrol-1-ylmethyl)benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CN3C=CC=C3)C(=C1)CC4=CN=C(N=C4N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CN3C=CC=C3)C(=C1)CC4=CN=C(N=C4N)N)OC

InChI

InChI=1S/C20H21N5O3/c1-26-16-8-12(7-13-10-23-20(22)24-19(13)21)15-9-14(11-25-5-3-4-6-25)28-17(15)18(16)27-2/h3-6,8-10H,7,11H2,1-2H3,(H4,21,22,23,24)