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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=CC=CC=C1NC2=NC(=NC=C2C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCC(C)NC1=CC=CC=C1NC2=NC(=NC=C2C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2/c1-4-16(3)25-19-13-9-10-14-20(19)26-22-18(23(28)29-5-2)15-24-21(27-22)17-11-7-6-8-12-17/h6-16,25H,4-5H2,1-3H3,(H,24,26,27)