ethyl 4-azanyl-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(C=C2C)C)C

InChI

InChI=1S/C18H21N3O3S/c1-5-24-17(23)14-8-20-18(21-16(14)19)25-9-15(22)13-7-11(3)10(2)6-12(13)4/h6-8H,5,9H2,1-4H3,(H2,19,20,21)