(E)-but-2-enedioic acid; 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-thiomorpholin-4-ylethyl)pyrimidine-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-thiomorpholin-4-ylethyl)pyrimidine-5-carboxamide Openeye Name: fumaric acid; 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-thiomorpholinoethyl)pyrimidine-5-carboxamide CAS Name: (E)-2-butenedioic acid; 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-thiomorpholin-4-ylethyl)-5-pyrimidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-thiomorpholin-4-ylethyl)pyrimidine-5-carboxamide Traditional Name: fumaric acid; 4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-thiomorpholinoethyl)pyrimidine-5-carboxamide Formula: C28H29N5O7S MolecularWeight: 579.62416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCN2CCSCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCN2CCSCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H25N5O3S.C4H4O4/c1-17-21(24(30)25-10-11-28-12-14-33-15-13-28)22(19-8-5-9-20(16-19)29(31)32)27-23(26-17)18-6-3-2-4-7-18;5-3(6)1-2-4(7)8/h2-9,16H,10-15H2,1H3,(H,25,30);1-2H,(H,5,6)(H,7,8)/b;2-1+