2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-4-5-13-9-15(21)20-17(18-13)23-10-16(22)19-14-8-11(2)6-7-12(14)3/h6-9H,4-5,10H2,1-3H3,(H,19,22)(H,18,20,21)/p-1