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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CN1)C2=CC3=C(O2)C(=C(C=C3CC4=CN=C(N=C4N)N)OC)OC

Isomeric SMILES

CC(C1=CC=CN1)C2=CC3=C(O2)C(=C(C=C3CC4=CN=C(N=C4N)N)OC)OC

InChI

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