5-[[6,7-dimethoxy-2-[(2-methyl-1H-indol-3-yl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[6,7-dimethoxy-2-[(2-methyl-1H-indol-3-yl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-[(2-methyl-1H-indol-3-yl)methyl]benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-[(2-methyl-1H-indol-3-yl)methyl]-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-[(2-methyl-1H-indol-3-yl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-[(2-methyl-1H-indol-3-yl)methyl]benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CC3=CC4=C(O3)C(=C(C=C4CC5=CN=C(N=C5N)N)OC)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CC3=CC4=C(O3)C(=C(C=C4CC5=CN=C(N=C5N)N)OC)OC

InChI

InChI=1S/C25H25N5O3/c1-13-18(17-6-4-5-7-20(17)29-13)10-16-11-19-14(8-15-12-28-25(27)30-24(15)26)9-21(31-2)23(32-3)22(19)33-16/h4-7,9,11-12,29H,8,10H2,1-3H3,(H4,26,27,28,30)