O3-tert-butyl O5-ethyl 2-azanyl-4-(2-ethenylphenyl)-6-methyl-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O3-tert-butyl O5-ethyl 2-azanyl-4-(2-ethenylphenyl)-6-methyl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O3-tert-butyl O5-ethyl 2-amino-6-methyl-4-(2-vinylphenyl)-4H-pyrimidine-3,5-dicarboxylate CAS Name: 2-amino-4-(2-ethenylphenyl)-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester IUPAC Name: 3-O-tert-butyl 5-O-ethyl 2-amino-4-(2-ethenylphenyl)-6-methyl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 2-amino-6-methyl-4-(2-vinylphenyl)-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2C=C)C(=O)OC(C)(C)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2C=C)C(=O)OC(C)(C)C)N)C

InChI

InChI=1S/C21H27N3O4/c1-7-14-11-9-10-12-15(14)17-16(18(25)27-8-2)13(3)23-19(22)24(17)20(26)28-21(4,5)6/h7,9-12,17H,1,8H2,2-6H3,(H2,22,23)