N-[(2-chloranyl-4-isocyano-phenyl)methyl]-3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide

Systemtic Name: N-[(2-chloranyl-4-isocyano-phenyl)methyl]-3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide Openeye Name: N-[(2-chloro-4-isocyano-phenyl)methyl]-3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide CAS Name: N-[(2-chloro-4-isocyanophenyl)methyl]-3-cyclohexyl-2-[[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]propanamide IUPAC Name: N-[(2-chloro-4-isocyanophenyl)methyl]-3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]propanamide Traditional Name: N-(2-chloro-4-isocyano-benzyl)-3-cyclohexyl-2-[[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propionamide Formula: C26H30ClN7O MolecularWeight: 492.0157

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=C(C=C(C=C3)[N+]#[C-])Cl)N4C=CC=C4

Isomeric SMILES

CNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=C(C=C(C=C3)[N+]#[C-])Cl)N4C=CC=C4

InChI

InChI=1S/C26H30ClN7O/c1-28-20-11-10-19(21(27)15-20)17-30-25(35)22(14-18-8-4-3-5-9-18)31-23-16-24(33-26(29-2)32-23)34-12-6-7-13-34/h6-7,10-13,15-16,18,22H,3-5,8-9,14,17H2,2H3,(H,30,35)(H2,29,31,32,33)