tert-butyl 2-[5-[(4-methylphenyl)amino]-6-oxidanylidene-2-phenyl-pyrimidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[(4-methylphenyl)amino]-6-oxidanylidene-2-phenyl-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-(4-methylanilino)-6-oxo-2-phenyl-pyrimidin-1-yl]acetate CAS Name: 2-[5-(4-methylanilino)-6-oxo-2-phenyl-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(4-methylanilino)-6-oxo-2-phenylpyrimidin-1-yl]acetate Traditional Name: 2-[6-keto-2-phenyl-5-(p-toluidino)pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CN=C(N(C2=O)CC(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CN=C(N(C2=O)CC(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-16-10-12-18(13-11-16)25-19-14-24-21(17-8-6-5-7-9-17)26(22(19)28)15-20(27)29-23(2,3)4/h5-14,25H,15H2,1-4H3