ethyl 4-azanyl-2-[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(N-allylanilino)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(N-prop-2-enylanilino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 2-[[2-(N-allylanilino)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-3-10-22(13-8-6-5-7-9-13)15(23)12-26-18-20-11-14(16(19)21-18)17(24)25-4-2/h3,5-9,11H,1,4,10,12H2,2H3,(H2,19,20,21)