O3-tert-butyl O5-(phenylmethyl) 4-cyclohexyl-6-methyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O3-tert-butyl O5-(phenylmethyl) 4-cyclohexyl-6-methyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-tert-butyl 4-cyclohexyl-6-methyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate CAS Name: 4-cyclohexyl-6-methyl-2-(1-pyrazolyl)-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-tert-butyl 4-cyclohexyl-6-methyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 4-cyclohexyl-6-methyl-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylic acid O5-benzyl ester O3-tert-butyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)N2C=CC=N2)C(=O)OC(C)(C)C)C3CCCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(N(C(=N1)N2C=CC=N2)C(=O)OC(C)(C)C)C3CCCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O4/c1-19-22(24(32)34-18-20-12-7-5-8-13-20)23(21-14-9-6-10-15-21)31(26(33)35-27(2,3)4)25(29-19)30-17-11-16-28-30/h5,7-8,11-13,16-17,21,23H,6,9-10,14-15,18H2,1-4H3