(5E)-5-[[5-bromanyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)indol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[[5-bromanyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)indol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[[5-bromo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)indol-3-yl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[5-bromo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-indolyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[[5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[[5-bromo-1-(2-keto-2-pyrrolidino-ethyl)indol-3-yl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H19BrN4O3S MolecularWeight: 475.35886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CN(C3=C2C=C(C=C3)Br)CC(=O)N4CCCC4)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C/C2=CN(C3=C2C=C(C=C3)Br)CC(=O)N4CCCC4)/C(=O)NC1=S

InChI

InChI=1S/C20H19BrN4O3S/c1-23-19(28)15(18(27)22-20(23)29)8-12-10-25(11-17(26)24-6-2-3-7-24)16-5-4-13(21)9-14(12)16/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,22,27,29)/b15-8+