ethyl 4-azanyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(E)-cinnamyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(E)-3-phenylprop-2-enyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(E)-cinnamyl]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)SCC=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-2-21-15(20)13-11-18-16(19-14(13)17)22-10-6-9-12-7-4-3-5-8-12/h3-9,11H,2,10H2,1H3,(H2,17,18,19)/b9-6+