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

Systemtic Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-[(3-isocyanophenyl)methylamino]pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide Openeye Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-[(3-isocyanophenyl)methylamino]pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide CAS Name: 3-cyclohexyl-2-[[6-(1-imidazolyl)-2-[(3-isocyanophenyl)methylamino]-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]propanamide IUPAC Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-[(3-isocyanophenyl)methylamino]pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide Traditional Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-[(3-isocyanobenzyl)amino]pyrimidin-4-yl]amino]-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(=CC=C5)[N+]#[C-]

Isomeric SMILES

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

InChI

InChI=1S/C32H33N9O/c1-33-26-13-11-24(12-14-26)20-36-31(42)28(18-23-7-4-3-5-8-23)38-29-19-30(41-16-15-35-22-41)40-32(39-29)37-21-25-9-6-10-27(17-25)34-2/h6,9-17,19,22-23,28H,3-5,7-8,18,20-21H2,(H,36,42)(H2,37,38,39,40)