ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-phenyl-1-piperazinyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-phenylpiperazino)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C22H26N6O2/c1-4-30-21(29)19-15-23-22(28-17(3)14-16(2)25-28)24-20(19)27-12-10-26(11-13-27)18-8-6-5-7-9-18/h5-9,14-15H,4,10-13H2,1-3H3