propyl 5-[[4-[4-(2-cyanoethanoylamino)phenyl]-5-methyl-pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[[4-[4-(2-cyanoethanoylamino)phenyl]-5-methyl-pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[[4-[4-[(2-cyanoacetyl)amino]phenyl]-5-methyl-pyrimidin-2-yl]amino]-2-morpholino-benzoate CAS Name: 5-[[4-[4-[(2-cyano-1-oxoethyl)amino]phenyl]-5-methyl-2-pyrimidinyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[[4-[4-[(2-cyanoacetyl)amino]phenyl]-5-methylpyrimidin-2-yl]amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-[4-[(2-cyanoacetyl)amino]phenyl]-5-methyl-pyrimidin-2-yl]amino]-2-morpholino-benzoic acid propyl ester Formula: C28H30N6O4 MolecularWeight: 514.5756

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC2=NC=C(C(=N2)C3=CC=C(C=C3)NC(=O)CC#N)C)N4CCOCC4

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC2=NC=C(C(=N2)C3=CC=C(C=C3)NC(=O)CC#N)C)N4CCOCC4

InChI

InChI=1S/C28H30N6O4/c1-3-14-38-27(36)23-17-22(8-9-24(23)34-12-15-37-16-13-34)32-28-30-18-19(2)26(33-28)20-4-6-21(7-5-20)31-25(35)10-11-29/h4-9,17-18H,3,10,12-16H2,1-2H3,(H,31,35)(H,30,32,33)