1-(4-methoxypyrimidin-2-yl)-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(4-methoxypyrimidin-2-yl)-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-(4-methoxypyrimidin-2-yl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-(4-methoxy-2-pyrimidinyl)-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-(4-methoxypyrimidin-2-yl)-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(4-methoxypyrimidin-2-yl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

COC1=NC(=NC=C1)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C23H24N4O2S/c1-28-22-5-7-24-23(25-22)27-9-2-8-26(10-11-27)15-20-14-19-13-17(3-4-21(19)29-20)18-6-12-30-16-18/h3-7,12-14,16H,2,8-11,15H2,1H3