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

Systemtic Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(1-imidazolyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

C1=CN(C=N1)CCCNC=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C11H13N5O2S/c17-9-8(10(18)15-11(19)14-9)6-12-2-1-4-16-5-3-13-7-16/h3,5-7,12H,1-2,4H2,(H2,14,15,17,18,19)