5-ethyl-6-methyl-2-[2-oxidanylidene-2-[[4-(propanoylamino)phenyl]amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-6-methyl-2-[2-oxidanylidene-2-[[4-(propanoylamino)phenyl]amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-ethyl-6-methyl-2-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-ethyl-6-methyl-2-[[2-oxo-2-[4-(1-oxopropylamino)anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 5-ethyl-6-methyl-2-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-ethyl-2-[[2-keto-2-(4-propionamidoanilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H21N4O3S- MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)NC(=O)CC)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)NC(=O)CC)C

InChI

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