2-[azanyl(sulfanyl)methylidene]-4,6-ditert-butyl-pyrimidin-5-one

Systemtic Name: 2-[azanyl(sulfanyl)methylidene]-4,6-ditert-butyl-pyrimidin-5-one Openeye Name: 2-[amino(sulfanyl)methylene]-4,6-ditert-butyl-pyrimidin-5-one CAS Name: 2-[amino(mercapto)methylidene]-4,6-ditert-butyl-5-pyrimidinone IUPAC Name: 2-[amino(sulfanyl)methylidene]-4,6-ditert-butylpyrimidin-5-one Traditional Name: 2-[amino(mercapto)methylene]-4,6-ditert-butyl-pyrimidin-5-one Formula: C13H21N3OS MolecularWeight: 267.39034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(N)S)N=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=NC(=C(N)S)N=C(C1=O)C(C)(C)C

InChI

InChI=1S/C13H21N3OS/c1-12(2,3)8-7(17)9(13(4,5)6)16-11(15-8)10(14)18/h18H,14H2,1-6H3