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

Systemtic Name: 5-[[6,7-dimethoxy-2-[(1-methylpyrrol-2-yl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-[(1-methylpyrrol-2-yl)methyl]benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-[(1-methyl-2-pyrrolyl)methyl]-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-[(1-methylpyrrol-2-yl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-[(1-methylpyrrol-2-yl)methyl]benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=CC3=C(O2)C(=C(C=C3CC4=CN=C(N=C4N)N)OC)OC

Isomeric SMILES

CN1C=CC=C1CC2=CC3=C(O2)C(=C(C=C3CC4=CN=C(N=C4N)N)OC)OC

InChI

InChI=1S/C21H23N5O3/c1-26-6-4-5-14(26)9-15-10-16-12(7-13-11-24-21(23)25-20(13)22)8-17(27-2)19(28-3)18(16)29-15/h4-6,8,10-11H,7,9H2,1-3H3,(H4,22,23,24,25)