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

Systemtic Name: 5-[[2-(1H-indol-3-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-(1H-indol-3-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-(1H-indol-3-ylmethyl)-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-(1H-indol-3-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-(1H-indol-3-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C24H23N5O3 MolecularWeight: 429.47112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CC3=CNC4=CC=CC=C43)C(=C1)CC5=CN=C(N=C5N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CC3=CNC4=CC=CC=C43)C(=C1)CC5=CN=C(N=C5N)N)OC

InChI

InChI=1S/C24H23N5O3/c1-30-20-9-13(7-15-12-28-24(26)29-23(15)25)18-10-16(32-21(18)22(20)31-2)8-14-11-27-19-6-4-3-5-17(14)19/h3-6,9-12,27H,7-8H2,1-2H3,(H4,25,26,28,29)