2-cyclohexyl-N-(2,3-dihydro-1-benzofuran-3-yl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]ethanamide

Systemtic Name: 2-cyclohexyl-N-(2,3-dihydro-1-benzofuran-3-yl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]ethanamide Openeye Name: 2-cyclohexyl-N-(2,3-dihydrobenzofuran-3-yl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]acetamide CAS Name: 2-cyclohexyl-N-(2,3-dihydrobenzofuran-3-yl)-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]acetamide IUPAC Name: 2-cyclohexyl-N-(2,3-dihydro-1-benzofuran-3-yl)-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]acetamide Traditional Name: N-coumaran-3-yl-2-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]acetamide Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CC(=N1)NC(C2CCCCC2)C(=O)NC3COC4=CC=CC=C34)N5C=CC=C5

Isomeric SMILES

CNC1=NC(=CC(=N1)NC(C2CCCCC2)C(=O)NC3COC4=CC=CC=C34)N5C=CC=C5

InChI

InChI=1S/C25H30N6O2/c1-26-25-29-21(15-22(30-25)31-13-7-8-14-31)28-23(17-9-3-2-4-10-17)24(32)27-19-16-33-20-12-6-5-11-18(19)20/h5-8,11-15,17,19,23H,2-4,9-10,16H2,1H3,(H,27,32)(H2,26,28,29,30)