ethyl 4-azanyl-2-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[[3-(4-methylphenyl)-5-isoxazolyl]amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=NO2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=NO2)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H19N5O4S/c1-3-27-18(26)13-9-21-19(23-17(13)20)29-10-15(25)22-16-8-14(24-28-16)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,22,25)(H2,20,21,23)