5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-tert-butylpyrrol-2-yl)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-tert-butyl-2-pyrrolyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-tert-butylpyrrol-2-yl)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC=C1C=C2C(=O)NC(=S)N(C2=O)C

Isomeric SMILES

CC(C)(C)N1C=CC=C1C=C2C(=O)NC(=S)N(C2=O)C

InChI

InChI=1S/C14H17N3O2S/c1-14(2,3)17-7-5-6-9(17)8-10-11(18)15-13(20)16(4)12(10)19/h5-8H,1-4H3,(H,15,18,20)