5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2,5-dimethyl-1-(4-morpholinophenyl)pyrrol-3-yl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-[4-(4-morpholinyl)phenyl]-3-pyrrolyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2,5-dimethyl-1-(4-morpholinophenyl)pyrrol-3-yl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H24N4O3S MolecularWeight: 424.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)C=C4C(=O)NC(=S)N(C4=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)C=C4C(=O)NC(=S)N(C4=O)C

InChI

InChI=1S/C22H24N4O3S/c1-14-12-16(13-19-20(27)23-22(30)24(3)21(19)28)15(2)26(14)18-6-4-17(5-7-18)25-8-10-29-11-9-25/h4-7,12-13H,8-11H2,1-3H3,(H,23,27,30)