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

Systemtic Name: 2-[[2-azanyl-6-(4-methylimidazol-1-yl)pyrimidin-4-yl]amino]-N-[(2-chloranyl-4-isocyano-phenyl)methyl]-3-cyclohexyl-propanamide Openeye Name: 2-[[2-amino-6-(4-methylimidazol-1-yl)pyrimidin-4-yl]amino]-N-[(2-chloro-4-isocyano-phenyl)methyl]-3-cyclohexyl-propanamide CAS Name: 2-[[2-amino-6-(4-methyl-1-imidazolyl)-4-pyrimidinyl]amino]-N-[(2-chloro-4-isocyanophenyl)methyl]-3-cyclohexylpropanamide IUPAC Name: 2-[[2-amino-6-(4-methylimidazol-1-yl)pyrimidin-4-yl]amino]-N-[(2-chloro-4-isocyanophenyl)methyl]-3-cyclohexylpropanamide Traditional Name: 2-[[2-amino-6-(4-methylimidazol-1-yl)pyrimidin-4-yl]amino]-N-(2-chloro-4-isocyano-benzyl)-3-cyclohexyl-propionamide Formula: C25H29ClN8O MolecularWeight: 493.00376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=CC(=NC(=N2)N)NC(CC3CCCCC3)C(=O)NCC4=C(C=C(C=C4)[N+]#[C-])Cl

Isomeric SMILES

CC1=CN(C=N1)C2=CC(=NC(=N2)N)NC(CC3CCCCC3)C(=O)NCC4=C(C=C(C=C4)[N+]#[C-])Cl

InChI

InChI=1S/C25H29ClN8O/c1-16-14-34(15-30-16)23-12-22(32-25(27)33-23)31-21(10-17-6-4-3-5-7-17)24(35)29-13-18-8-9-19(28-2)11-20(18)26/h8-9,11-12,14-15,17,21H,3-7,10,13H2,1H3,(H,29,35)(H3,27,31,32,33)