2-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H24N3O2S- MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC=C2C(C)C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC=C2C(C)C)C)[O-]

InChI

InChI=1S/C19H25N3O2S/c1-5-7-14-10-16(23)22-19(20-14)25-11-17(24)21-18-13(4)8-6-9-15(18)12(2)3/h6,8-10,12H,5,7,11H2,1-4H3,(H,21,24)(H,20,22,23)/p-1