2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-3-isobutyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-3-(2-methylpropyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-3-isobutyl-6-keto-pyrimidin-4-olate Formula: C20H26N3O3S- MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=O)C=C(N2CC(C)C)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=O)C=C(N2CC(C)C)[O-]

InChI

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