O3-tert-butyl O5-ethyl 6-methyl-4-phenyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O3-tert-butyl O5-ethyl 6-methyl-4-phenyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O3-tert-butyl O5-ethyl 6-methyl-4-phenyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-4-phenyl-2-(1-pyrazolyl)-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester IUPAC Name: 3-O-tert-butyl 5-O-ethyl 6-methyl-4-phenyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 6-methyl-4-phenyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2)C(=O)OC(C)(C)C)N3C=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2)C(=O)OC(C)(C)C)N3C=CC=N3)C

InChI

InChI=1S/C22H26N4O4/c1-6-29-19(27)17-15(2)24-20(25-14-10-13-23-25)26(21(28)30-22(3,4)5)18(17)16-11-8-7-9-12-16/h7-14,18H,6H2,1-5H3