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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[[2-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(4-phenylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-[2-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(4-phenylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(4-phenylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C29H31N7O3 MolecularWeight: 525.60154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4)N5C(=CC(=N5)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4)N5C(=CC(=N5)C)C

InChI

InChI=1S/C29H31N7O3/c1-4-39-28(38)24-19-30-29(36-21(3)18-20(2)33-36)32-26(24)31-25-13-9-8-12-23(25)27(37)35-16-14-34(15-17-35)22-10-6-5-7-11-22/h5-13,18-19H,4,14-17H2,1-3H3,(H,30,31,32)