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

Systemtic Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(1-imidazolyl)propylamino]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCCCN2C=CN=C2)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CNCCCN2C=CN=C2)C(=O)N(C1=S)C

InChI

InChI=1S/C13H17N5O2S/c1-16-11(19)10(12(20)17(2)13(16)21)8-14-4-3-6-18-7-5-15-9-18/h5,7-9,14H,3-4,6H2,1-2H3