ethyl 4-[(6-methyl-2-phenyl-5-prop-2-enyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(6-methyl-2-phenyl-5-prop-2-enyl-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(5-allyl-6-methyl-2-phenyl-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-methyl-2-phenyl-5-prop-2-enyl-4-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(5-allyl-6-methyl-2-phenyl-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2CC=C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2CC=C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O2/c1-4-9-20-16(3)24-21(17-10-7-6-8-11-17)26-22(20)25-19-14-12-18(13-15-19)23(27)28-5-2/h4,6-8,10-15H,1,5,9H2,2-3H3,(H,24,25,26)