1,3-dimethyl-5-[[(2-pyrrolidin-1-yl-5-pyrrolidin-1-ylcarbonyl-phenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-dimethyl-5-[[(2-pyrrolidin-1-yl-5-pyrrolidin-1-ylcarbonyl-phenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-dimethyl-5-[[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-anilino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-dimethyl-5-[[5-[oxo(1-pyrrolidinyl)methyl]-2-(1-pyrrolidinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-dimethyl-5-[[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylanilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-dimethyl-5-[[5-(pyrrolidine-1-carbonyl)-2-pyrrolidino-anilino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNC2=C(C=CC(=C2)C(=O)N3CCCC3)N4CCCC4)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CNC2=C(C=CC(=C2)C(=O)N3CCCC3)N4CCCC4)C(=O)N(C1=S)C

InChI

InChI=1S/C22H27N5O3S/c1-24-20(29)16(21(30)25(2)22(24)31)14-23-17-13-15(19(28)27-11-5-6-12-27)7-8-18(17)26-9-3-4-10-26/h7-8,13-14,23H,3-6,9-12H2,1-2H3