(5Z)-1-(2-ethylphenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-(2-ethylphenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(2-ethylphenyl)-5-[(5-pyrrolidin-1-yl-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(2-ethylphenyl)-5-[[5-(1-pyrrolidinyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(2-ethylphenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(2-ethylphenyl)-5-[(5-pyrrolidino-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(O3)N4CCCC4)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=C(O3)N4CCCC4)/C(=O)NC2=S

InChI

InChI=1S/C21H21N3O3S/c1-2-14-7-3-4-8-17(14)24-20(26)16(19(25)22-21(24)28)13-15-9-10-18(27-15)23-11-5-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,25,28)/b16-13-