2-cyclohexyl-N-(7-isocyano-3,4-dihydro-2H-chromen-4-yl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]ethanamide

Systemtic Name: 2-cyclohexyl-N-(7-isocyano-3,4-dihydro-2H-chromen-4-yl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]ethanamide Openeye Name: 2-cyclohexyl-N-(7-isocyanochroman-4-yl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]acetamide CAS Name: 2-cyclohexyl-N-(7-isocyano-3,4-dihydro-2H-1-benzopyran-4-yl)-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]acetamide IUPAC Name: 2-cyclohexyl-N-(7-isocyano-3,4-dihydro-2H-chromen-4-yl)-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]acetamide Traditional Name: 2-cyclohexyl-N-(7-isocyanochroman-4-yl)-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]acetamide Formula: C27H31N7O2 MolecularWeight: 485.58074

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CC(=N1)NC(C2CCCCC2)C(=O)NC3CCOC4=C3C=CC(=C4)[N+]#[C-])N5C=CC=C5

Isomeric SMILES

CNC1=NC(=CC(=N1)NC(C2CCCCC2)C(=O)NC3CCOC4=C3C=CC(=C4)[N+]#[C-])N5C=CC=C5

InChI

InChI=1S/C27H31N7O2/c1-28-19-10-11-20-21(12-15-36-22(20)16-19)30-26(35)25(18-8-4-3-5-9-18)31-23-17-24(33-27(29-2)32-23)34-13-6-7-14-34/h6-7,10-11,13-14,16-18,21,25H,3-5,8-9,12,15H2,2H3,(H,30,35)(H2,29,31,32,33)