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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S

InChI

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