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

Systemtic Name: 5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-tert-butylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-tert-butyl-2-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-tert-butylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC=C1C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

CC(C)(C)N1C=CC=C1C=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C13H15N3O2S/c1-13(2,3)16-6-4-5-8(16)7-9-10(17)14-12(19)15-11(9)18/h4-7H,1-3H3,(H2,14,15,17,18,19)