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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(3,5-diphenylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(3,5-diphenylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(3,5-diphenyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(3,5-diphenylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(3,5-diphenylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C27H24N6O2 MolecularWeight: 464.51846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)N5C(=CC(=N5)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)N5C(=CC(=N5)C)C

InChI

InChI=1S/C27H24N6O2/c1-4-35-26(34)22-17-28-27(32-19(3)15-18(2)30-32)29-25(22)33-24(21-13-9-6-10-14-21)16-23(31-33)20-11-7-5-8-12-20/h5-17H,4H2,1-3H3