(5E)-5-[(4-bromanyl-5-pyrrolidin-1-yl-furan-2-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(4-bromanyl-5-pyrrolidin-1-yl-furan-2-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(4-bromo-5-pyrrolidin-1-yl-2-furyl)methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[4-bromo-5-(1-pyrrolidinyl)-2-furanyl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(4-bromo-5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[(4-bromo-5-pyrrolidino-2-furyl)methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(O3)N4CCCC4)Br)C(=O)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(O3)N4CCCC4)Br)/C(=O)NC2=S

InChI

InChI=1S/C20H18BrN3O3S/c1-12-4-6-13(7-5-12)24-18(26)15(17(25)22-20(24)28)10-14-11-16(21)19(27-14)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H,22,25,28)/b15-10+