5-butyl-2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 5-butyl-2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-butyl-2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-butyl-2-[[2-(tert-butylamino)-2-oxoethyl]thio]-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-butyl-2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-butyl-2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-6-keto-3-phenyl-pyrimidin-4-olate Formula: C20H26N3O3S- MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC(C)(C)C)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC(C)(C)C)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C20H27N3O3S/c1-5-6-12-15-17(25)21-19(27-13-16(24)22-20(2,3)4)23(18(15)26)14-10-8-7-9-11-14/h7-11,26H,5-6,12-13H2,1-4H3,(H,22,24)/p-1