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

Systemtic Name: 2-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2,6-diisopropylanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H28N3O2S- MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-6-8-15-11-18(25)24-21(22-15)27-12-19(26)23-20-16(13(2)3)9-7-10-17(20)14(4)5/h7,9-11,13-14H,6,8,12H2,1-5H3,(H,23,26)(H,22,24,25)/p-1