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

Systemtic Name: 5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2,5-dimethyl-1-(4-morpholinophenyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-[4-(4-morpholinyl)phenyl]-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2,5-dimethyl-1-(4-morpholinophenyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C21H22N4O3S/c1-13-11-15(12-18-19(26)22-21(29)23-20(18)27)14(2)25(13)17-5-3-16(4-6-17)24-7-9-28-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H2,22,23,26,27,29)