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

Systemtic Name: 5-[[2-(2,2-dimethylpropyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-(2,2-dimethylpropyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-(2,2-dimethylpropyl)-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-(2,2-dimethylpropyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(6,7-dimethoxy-2-neopentyl-benzofuran-4-yl)methyl]pyrimidin-4-yl]amine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OC

Isomeric SMILES

CC(C)(C)CC1=CC2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OC

InChI

InChI=1S/C20H26N4O3/c1-20(2,3)9-13-8-14-11(6-12-10-23-19(22)24-18(12)21)7-15(25-4)17(26-5)16(14)27-13/h7-8,10H,6,9H2,1-5H3,(H4,21,22,23,24)