2-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-acetamidoanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-acetamidoanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H19N4O3S- MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)NC(=O)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)NC(=O)C)[O-]

InChI

InChI=1S/C17H20N4O3S/c1-3-4-14-9-15(23)21-17(20-14)25-10-16(24)19-13-7-5-12(6-8-13)18-11(2)22/h5-9H,3-4,10H2,1-2H3,(H,18,22)(H,19,24)(H,20,21,23)/p-1