ethyl 4-azanyl-2-[(4-ethenylphenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(4-ethenylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-vinylphenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-ethenylphenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-ethenylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-vinylbenzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)C=C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)C=C

InChI

InChI=1S/C16H17N3O2S/c1-3-11-5-7-12(8-6-11)10-22-16-18-9-13(14(17)19-16)15(20)21-4-2/h3,5-9H,1,4,10H2,2H3,(H2,17,18,19)