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

Systemtic Name: 5-[[2-(indol-1-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-(indol-1-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-(1-indolylmethyl)-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-(indol-1-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-(indol-1-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)CN3C=CC4=CC=CC=C43)C(=C1)CC5=CN=C(N=C5N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CN3C=CC4=CC=CC=C43)C(=C1)CC5=CN=C(N=C5N)N)OC

InChI

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