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

Systemtic Name: N-[(2-chloranyl-4-isocyano-phenyl)methyl]-3-cyclohexyl-2-[(2-methyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]propanamide Openeye Name: N-[(2-chloro-4-isocyano-phenyl)methyl]-3-cyclohexyl-2-[(2-methyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]propanamide CAS Name: N-[(2-chloro-4-isocyanophenyl)methyl]-3-cyclohexyl-2-[[2-methyl-6-(1-pyrrolyl)-4-pyrimidinyl]amino]propanamide IUPAC Name: N-[(2-chloro-4-isocyanophenyl)methyl]-3-cyclohexyl-2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]propanamide Traditional Name: N-(2-chloro-4-isocyano-benzyl)-3-cyclohexyl-2-[(2-methyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]propionamide Formula: C26H29ClN6O MolecularWeight: 477.00106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=C(C=C(C=C3)[N+]#[C-])Cl)N4C=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=C(C=C(C=C3)[N+]#[C-])Cl)N4C=CC=C4

InChI

InChI=1S/C26H29ClN6O/c1-18-30-24(16-25(31-18)33-12-6-7-13-33)32-23(14-19-8-4-3-5-9-19)26(34)29-17-20-10-11-21(28-2)15-22(20)27/h6-7,10-13,15-16,19,23H,3-5,8-9,14,17H2,1H3,(H,29,34)(H,30,31,32)