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

Systemtic Name: 5-butyl-2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 5-butyl-2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 5-butyl-2-[[2-(tert-butylamino)-2-oxoethyl]thio]-3-(4-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 5-butyl-2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 5-butyl-2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-6-keto-3-(p-tolyl)pyrimidin-4-olate Formula: C21H28N3O3S- MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-6-7-8-16-18(26)22-20(28-13-17(25)23-21(3,4)5)24(19(16)27)15-11-9-14(2)10-12-15/h9-12,27H,6-8,13H2,1-5H3,(H,23,25)/p-1