N-[(2-chloranyl-4-isocyano-phenyl)methyl]-2-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]ethanamide

Systemtic Name: N-[(2-chloranyl-4-isocyano-phenyl)methyl]-2-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]ethanamide Openeye Name: N-[(2-chloro-4-isocyano-phenyl)methyl]-2-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]acetamide CAS Name: N-[(2-chloro-4-isocyanophenyl)methyl]-2-cyclohexyl-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]acetamide IUPAC Name: N-[(2-chloro-4-isocyanophenyl)methyl]-2-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]acetamide Traditional Name: N-(2-chloro-4-isocyano-benzyl)-2-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]acetamide Formula: C25H28ClN7O MolecularWeight: 477.98912

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CC(=N1)NC(C2CCCCC2)C(=O)NCC3=C(C=C(C=C3)[N+]#[C-])Cl)N4C=CC=C4

Isomeric SMILES

CNC1=NC(=CC(=N1)NC(C2CCCCC2)C(=O)NCC3=C(C=C(C=C3)[N+]#[C-])Cl)N4C=CC=C4

InChI

InChI=1S/C25H28ClN7O/c1-27-19-11-10-18(20(26)14-19)16-29-24(34)23(17-8-4-3-5-9-17)30-21-15-22(32-25(28-2)31-21)33-12-6-7-13-33/h6-7,10-15,17,23H,3-5,8-9,16H2,2H3,(H,29,34)(H2,28,30,31,32)