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

Systemtic Name: 2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H21N4O3S- MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=NO2)C(C)(C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=NO2)C(C)(C)C)[O-]

InChI

InChI=1S/C16H22N4O3S/c1-5-6-10-7-12(21)19-15(17-10)24-9-13(22)18-14-8-11(20-23-14)16(2,3)4/h7-8H,5-6,9H2,1-4H3,(H,18,22)(H,17,19,21)/p-1