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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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