(E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-4-methyl-6-(5-nitrothiophen-2-yl)-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-4-methyl-6-(5-nitrothiophen-2-yl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-4-methyl-6-(5-nitro-2-thienyl)-2-phenyl-pyrimidine-5-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-dimethylaminoethyl)-4-methyl-6-(5-nitro-2-thiophenyl)-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-dimethylaminoethyl)-4-methyl-6-(5-nitrothiophen-2-yl)-2-phenylpyrimidine-5-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-4-methyl-6-(5-nitro-2-thienyl)-2-phenyl-pyrimidine-5-carboxamide; fumaric acid Formula: C24H25N5O7S MolecularWeight: 527.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCN(C)C)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCN(C)C)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H21N5O3S.C4H4O4/c1-13-17(20(26)21-11-12-24(2)3)18(15-9-10-16(29-15)25(27)28)23-19(22-13)14-7-5-4-6-8-14;5-3(6)1-2-4(7)8/h4-10H,11-12H2,1-3H3,(H,21,26);1-2H,(H,5,6)(H,7,8)/b;2-1+