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

Systemtic Name: 3-[[6,7-dimethoxy-2-(naphthalen-1-ylmethyl)-1-benzofuran-4-yl]methyl]-4H-pyrimidine-2,4-diamine Openeye Name: 3-[[6,7-dimethoxy-2-(1-naphthylmethyl)benzofuran-4-yl]methyl]-4H-pyrimidine-2,4-diamine CAS Name: 3-[[6,7-dimethoxy-2-(1-naphthalenylmethyl)-4-benzofuranyl]methyl]-4H-pyrimidine-2,4-diamine IUPAC Name: 3-[[6,7-dimethoxy-2-(naphthalen-1-ylmethyl)-1-benzofuran-4-yl]methyl]-4H-pyrimidine-2,4-diamine Traditional Name: [2-amino-3-[[6,7-dimethoxy-2-(1-naphthylmethyl)benzofuran-4-yl]methyl]-4H-pyrimidin-4-yl]amine Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CC3=CC=CC4=CC=CC=C43)C(=C1)CN5C(C=CN=C5N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CC3=CC=CC4=CC=CC=C43)C(=C1)CN5C(C=CN=C5N)N)OC

InChI

InChI=1S/C26H26N4O3/c1-31-22-13-18(15-30-23(27)10-11-29-26(30)28)21-14-19(33-24(21)25(22)32-2)12-17-8-5-7-16-6-3-4-9-20(16)17/h3-11,13-14,23H,12,15,27H2,1-2H3,(H2,28,29)