3-cyclohexyl-2-[[6-imidazol-1-yl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-N-[(4-nitrophenyl)methyl]propanamide

Systemtic Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-N-[(4-nitrophenyl)methyl]propanamide Openeye Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-(3-pyridylmethylamino)pyrimidin-4-yl]amino]-N-[(4-nitrophenyl)methyl]propanamide CAS Name: 3-cyclohexyl-2-[[6-(1-imidazolyl)-2-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]-N-[(4-nitrophenyl)methyl]propanamide IUPAC Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-N-[(4-nitrophenyl)methyl]propanamide Traditional Name: 3-cyclohexyl-2-[[6-imidazol-1-yl-2-(3-pyridylmethylamino)pyrimidin-4-yl]amino]-N-(4-nitrobenzyl)propionamide Formula: C29H33N9O3 MolecularWeight: 555.63082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=NC(=C3)N4C=CN=C4)NCC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])NC3=NC(=NC(=C3)N4C=CN=C4)NCC5=CN=CC=C5

InChI

InChI=1S/C29H33N9O3/c39-28(32-18-22-8-10-24(11-9-22)38(40)41)25(15-21-5-2-1-3-6-21)34-26-16-27(37-14-13-31-20-37)36-29(35-26)33-19-23-7-4-12-30-17-23/h4,7-14,16-17,20-21,25H,1-3,5-6,15,18-19H2,(H,32,39)(H2,33,34,35,36)