O1-tert-butyl O5,O6-dimethyl 4-(dimethylamino)-2-phenyl-4H-pyrimidine-1,5,6-tricarboxylate

Systemtic Name: O1-tert-butyl O5,O6-dimethyl 4-(dimethylamino)-2-phenyl-4H-pyrimidine-1,5,6-tricarboxylate Openeye Name: O1-tert-butyl O5,O6-dimethyl 4-(dimethylamino)-2-phenyl-4H-pyrimidine-1,5,6-tricarboxylate CAS Name: 4-(dimethylamino)-2-phenyl-4H-pyrimidine-1,5,6-tricarboxylic acid O1-tert-butyl ester O5,O6-dimethyl ester IUPAC Name: 1-O-tert-butyl 5-O,6-O-dimethyl 4-(dimethylamino)-2-phenyl-4H-pyrimidine-1,5,6-tricarboxylate Traditional Name: 4-(dimethylamino)-2-phenyl-4H-pyrimidine-1,5,6-tricarboxylic acid O1-tert-butyl ester O5,O6-dimethyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=C(C(N=C1C2=CC=CC=C2)N(C)C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=C(C(N=C1C2=CC=CC=C2)N(C)C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H27N3O6/c1-21(2,3)30-20(27)24-15(19(26)29-7)14(18(25)28-6)17(23(4)5)22-16(24)13-11-9-8-10-12-13/h8-12,17H,1-7H3