2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[(4-tert-butylthiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(4-tert-butyl-2-thiazolyl)amino]-2-oxoethyl]thio]-6-ethyl-5-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-ethyl-5-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(4-tert-butylthiazol-2-yl)amino]-2-keto-ethyl]thio]-6-ethyl-5-methyl-pyrimidin-4-olate Formula: C16H21N4O2S2- MolecularWeight: 365.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=NC(=CS2)C(C)(C)C)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=NC(=CS2)C(C)(C)C)[O-])C

InChI

InChI=1S/C16H22N4O2S2/c1-6-10-9(2)13(22)20-14(17-10)24-8-12(21)19-15-18-11(7-23-15)16(3,4)5/h7H,6,8H2,1-5H3,(H,17,20,22)(H,18,19,21)/p-1