2-[[2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[[2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(N-acetyl-3-methylanilino)-4-thiazolyl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methylthio]-6-propyl-pyrimidin-4-olate Formula: C20H21N4O2S2- MolecularWeight: 413.53634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CSC(=N2)N(C3=CC=CC(=C3)C)C(=O)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CSC(=N2)N(C3=CC=CC(=C3)C)C(=O)C)[O-]

InChI

InChI=1S/C20H22N4O2S2/c1-4-6-15-10-18(26)23-19(21-15)27-11-16-12-28-20(22-16)24(14(3)25)17-8-5-7-13(2)9-17/h5,7-10,12H,4,6,11H2,1-3H3,(H,21,23,26)/p-1