ethyl 2-phenyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-phenyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(allylamino)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 2-phenyl-4-(prop-2-enylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-phenyl-4-(prop-2-enylamino)pyrimidine-5-carboxylate Traditional Name: 4-(allylamino)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC=C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC=C)C2=CC=CC=C2

InChI

InChI=1S/C16H17N3O2/c1-3-10-17-15-13(16(20)21-4-2)11-18-14(19-15)12-8-6-5-7-9-12/h3,5-9,11H,1,4,10H2,2H3,(H,17,18,19)