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

Systemtic Name: ethyl 4-[[2-(butylamino)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(butylamino)anilino]pyrimidine-5-carboxylate CAS Name: 4-[2-(butylamino)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(butylamino)anilino]pyrimidine-5-carboxylate Traditional Name: 4-[2-(butylamino)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1NC2=NC=NC=C2C(=O)OCC

Isomeric SMILES

CCCCNC1=CC=CC=C1NC2=NC=NC=C2C(=O)OCC

InChI

InChI=1S/C17H22N4O2/c1-3-5-10-19-14-8-6-7-9-15(14)21-16-13(11-18-12-20-16)17(22)23-4-2/h6-9,11-12,19H,3-5,10H2,1-2H3,(H,18,20,21)