5-ethyl-6-methyl-2-[2-[[3-methyl-4-(propanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-6-methyl-2-[2-[[3-methyl-4-(propanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-ethyl-6-methyl-2-[2-[3-methyl-4-(propanoylamino)anilino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-ethyl-6-methyl-2-[[2-[3-methyl-4-(1-oxopropylamino)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 5-ethyl-6-methyl-2-[2-[3-methyl-4-(propanoylamino)anilino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-ethyl-2-[[2-keto-2-(3-methyl-4-propionamido-anilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C19H23N4O3S- MolecularWeight: 387.47592

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-5-14-12(4)20-19(23-18(14)26)27-10-17(25)21-13-7-8-15(11(3)9-13)22-16(24)6-2/h7-9H,5-6,10H2,1-4H3,(H,21,25)(H,22,24)(H,20,23,26)/p-1