2-[[2-[(4-cyanophenyl)methylamino]-6-imidazol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-[(4-isocyanophenyl)methyl]propanamide

Systemtic Name: 2-[[2-[(4-cyanophenyl)methylamino]-6-imidazol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-[(4-isocyanophenyl)methyl]propanamide Openeye Name: 2-[[2-[(4-cyanophenyl)methylamino]-6-imidazol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-[(4-isocyanophenyl)methyl]propanamide CAS Name: 2-[[2-[(4-cyanophenyl)methylamino]-6-(1-imidazolyl)-4-pyrimidinyl]amino]-3-cyclohexyl-N-[(4-isocyanophenyl)methyl]propanamide IUPAC Name: 2-[[2-[(4-cyanophenyl)methylamino]-6-imidazol-1-ylpyrimidin-4-yl]amino]-3-cyclohexyl-N-[(4-isocyanophenyl)methyl]propanamide Traditional Name: 2-[[2-[(4-cyanobenzyl)amino]-6-imidazol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-(4-isocyanobenzyl)propionamide Formula: C32H33N9O MolecularWeight: 559.66412

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(CC2CCCCC2)NC3=NC(=NC(=C3)N4C=CN=C4)NCC5=CC=C(C=C5)C#N

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(CC2CCCCC2)NC3=NC(=NC(=C3)N4C=CN=C4)NCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H33N9O/c1-34-27-13-11-26(12-14-27)20-36-31(42)28(17-23-5-3-2-4-6-23)38-29-18-30(41-16-15-35-22-41)40-32(39-29)37-21-25-9-7-24(19-33)8-10-25/h7-16,18,22-23,28H,2-6,17,20-21H2,(H,36,42)(H2,37,38,39,40)