ethyl 4-[[2-(2-methylpropylamino)phenyl]amino]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[2-(2-methylpropylamino)phenyl]amino]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(isobutylamino)anilino]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[2-(2-methylpropylamino)anilino]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methylpropylamino)anilino]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[2-(isobutylamino)anilino]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2NCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2NCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2/c1-4-29-23(28)18-15-25-21(17-10-6-5-7-11-17)27-22(18)26-20-13-9-8-12-19(20)24-14-16(2)3/h5-13,15-16,24H,4,14H2,1-3H3,(H,25,26,27)