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

Systemtic Name: 3-[[2-(indol-1-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]-4H-pyrimidine-2,4-diamine Openeye Name: 3-[[2-(indol-1-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]-4H-pyrimidine-2,4-diamine CAS Name: 3-[[2-(1-indolylmethyl)-6,7-dimethoxy-4-benzofuranyl]methyl]-4H-pyrimidine-2,4-diamine IUPAC Name: 3-[[2-(indol-1-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]-4H-pyrimidine-2,4-diamine Traditional Name: [2-amino-3-[[2-(indol-1-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]-4H-pyrimidin-4-yl]amine Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CN3C=CC4=CC=CC=C43)C(=C1)CN5C(C=CN=C5N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CN3C=CC4=CC=CC=C43)C(=C1)CN5C(C=CN=C5N)N)OC

InChI

InChI=1S/C24H25N5O3/c1-30-20-11-16(13-29-21(25)7-9-27-24(29)26)18-12-17(32-22(18)23(20)31-2)14-28-10-8-15-5-3-4-6-19(15)28/h3-12,21H,13-14,25H2,1-2H3,(H2,26,27)