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

Systemtic Name: ethyl 4-azanyl-2-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(N-methylanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(N-methylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(N-methylanilino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3S/c1-3-23-15(22)12-9-18-16(19-14(12)17)24-10-13(21)20(2)11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H2,17,18,19)