ethyl 4-azanyl-2-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-keto-2-mesidino-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H22N4O3S/c1-5-25-17(24)13-8-20-18(22-16(13)19)26-9-14(23)21-15-11(3)6-10(2)7-12(15)4/h6-8H,5,9H2,1-4H3,(H,21,23)(H2,19,20,22)