5-[(cyclopropylamino)methylidene]-1-(2,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(cyclopropylamino)methylidene]-1-(2,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(cyclopropylamino)methylene]-1-(2,4-dimethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(cyclopropylamino)methylidene]-1-(2,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(cyclopropylamino)methylidene]-1-(2,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(cyclopropylamino)methylene]-1-(2,4-dimethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=CNC3CC3)C(=O)NC2=S)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(=CNC3CC3)C(=O)NC2=S)C

InChI

InChI=1S/C16H17N3O2S/c1-9-3-6-13(10(2)7-9)19-15(21)12(8-17-11-4-5-11)14(20)18-16(19)22/h3,6-8,11,17H,4-5H2,1-2H3,(H,18,20,22)