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

Systemtic Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-(2-methoxyethylamino)pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide Openeye Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-(2-methoxyethylamino)pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide CAS Name: 3-cyclohexyl-2-[[6-(1-imidazolyl)-2-(2-methoxyethylamino)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]propanamide IUPAC Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-(2-methoxyethylamino)pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide Traditional Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-(2-methoxyethylamino)pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)propionamide Formula: C27H34N8O2 MolecularWeight: 502.61126

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CN=C4

Isomeric SMILES

COCCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CN=C4

InChI

InChI=1S/C27H34N8O2/c1-28-22-10-8-21(9-11-22)18-31-26(36)23(16-20-6-4-3-5-7-20)32-24-17-25(35-14-12-29-19-35)34-27(33-24)30-13-15-37-2/h8-12,14,17,19-20,23H,3-7,13,15-16,18H2,2H3,(H,31,36)(H2,30,32,33,34)