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

Systemtic Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-imidazol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide Openeye Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-imidazol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide CAS Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-(1-imidazolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-imidazol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide Traditional Name: 3-cyclohexyl-2-[[2-(ethylamino)-6-imidazol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)propionamide Formula: C26H32N8O MolecularWeight: 472.58528

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CN=C4

Isomeric SMILES

CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CN=C4

InChI

InChI=1S/C26H32N8O/c1-3-29-26-32-23(16-24(33-26)34-14-13-28-18-34)31-22(15-19-7-5-4-6-8-19)25(35)30-17-20-9-11-21(27-2)12-10-20/h9-14,16,18-19,22H,3-8,15,17H2,1H3,(H,30,35)(H2,29,31,32,33)