ethyl 4-[[4-(diethylamino)phenyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(diethylamino)phenyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(diethylamino)anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-[4-(diethylamino)anilino]-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(diethylamino)anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-[4-(diethylamino)anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)N3C(=CC(=N3)C)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)N3C(=CC(=N3)C)C

InChI

InChI=1S/C22H28N6O2/c1-6-27(7-2)18-11-9-17(10-12-18)24-20-19(21(29)30-8-3)14-23-22(25-20)28-16(5)13-15(4)26-28/h9-14H,6-8H2,1-5H3,(H,23,24,25)