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

Systemtic Name: 2-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-isopropylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2-isopropylanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-4-7-13-10-16(22)21-18(19-13)24-11-17(23)20-15-9-6-5-8-14(15)12(2)3/h5-6,8-10,12H,4,7,11H2,1-3H3,(H,20,23)(H,19,21,22)/p-1