ethyl 2-(4-methylpyrazol-1-yl)-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-methylpyrazol-1-yl)-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-methylpyrazol-1-yl)-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(4-methyl-1-pyrazolyl)-4-(4-phenyl-1-piperazinyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylpyrazol-1-yl)-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(4-methylpyrazol-1-yl)-4-(4-phenylpiperazino)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c1-3-29-20(28)18-14-22-21(27-15-16(2)13-23-27)24-19(18)26-11-9-25(10-12-26)17-7-5-4-6-8-17/h4-8,13-15H,3,9-12H2,1-2H3