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

Systemtic Name: O3-tert-butyl O5-ethyl 4-(3,3-dimethoxypropyl)-6-phenyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O3-tert-butyl O5-ethyl 4-(3,3-dimethoxypropyl)-6-phenyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate CAS Name: 4-(3,3-dimethoxypropyl)-6-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 4-(3,3-dimethoxypropyl)-6-phenyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 4-(3,3-dimethoxypropyl)-6-phenyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester Formula: C26H34N4O6 MolecularWeight: 498.57136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1CCC(OC)OC)C(=O)OC(C)(C)C)N2C=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(N(C1CCC(OC)OC)C(=O)OC(C)(C)C)N2C=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C26H34N4O6/c1-7-35-23(31)21-19(14-15-20(33-5)34-6)30(25(32)36-26(2,3)4)24(29-17-11-16-27-29)28-22(21)18-12-9-8-10-13-18/h8-13,16-17,19-20H,7,14-15H2,1-6H3