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

Systemtic Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-methyl-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-methyl-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(1-imidazolyl)propylamino]methylidene]-1-methyl-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1-methyl-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-methyl-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCCCN2C=CN=C2)C(=O)N(C1=S)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=CNCCCN2C=CN=C2)C(=O)N(C1=S)C3=CC=CC=C3

InChI

InChI=1S/C18H19N5O2S/c1-21-16(24)15(12-19-8-5-10-22-11-9-20-13-22)17(25)23(18(21)26)14-6-3-2-4-7-14/h2-4,6-7,9,11-13,19H,5,8,10H2,1H3