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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[[2-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(4-ethylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-[2-[(4-ethyl-1-piperazinyl)-oxomethyl]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(4-ethylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(4-ethylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H31N7O3 MolecularWeight: 477.55874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC=CC=C2NC3=NC(=NC=C3C(=O)OCC)N4C(=CC(=N4)C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC=CC=C2NC3=NC(=NC=C3C(=O)OCC)N4C(=CC(=N4)C)C

InChI

InChI=1S/C25H31N7O3/c1-5-30-11-13-31(14-12-30)23(33)19-9-7-8-10-21(19)27-22-20(24(34)35-6-2)16-26-25(28-22)32-18(4)15-17(3)29-32/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,26,27,28)