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

Systemtic Name: 5-[[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CN3CCCC4=CC=CC=C43)C(=C1)CC5=CN=C(N=C5N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CN3CCCC4=CC=CC=C43)C(=C1)CC5=CN=C(N=C5N)N)OC

InChI

InChI=1S/C25H27N5O3/c1-31-21-11-16(10-17-13-28-25(27)29-24(17)26)19-12-18(33-22(19)23(21)32-2)14-30-9-5-7-15-6-3-4-8-20(15)30/h3-4,6,8,11-13H,5,7,9-10,14H2,1-2H3,(H4,26,27,28,29)