but-2-ynedioic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrimidine-4-carboxamide

Systemtic Name: but-2-ynedioic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrimidine-4-carboxamide Openeye Name: but-2-ynedioic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrimidine-4-carboxamide CAS Name: 2-butynedioic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-pyrimidinecarboxamide IUPAC Name: but-2-ynedioic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrimidine-4-carboxamide Traditional Name: but-2-ynedioic acid; N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrimidine-4-carboxamide Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCC2=C(C1)C3=C(O2)C=CC(=C3)NC(=O)C4=NC=NC=C4.C(#CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1CCC2=C(C1)C3=C(O2)C=CC(=C3)NC(=O)C4=NC=NC=C4.C(#CC(=O)O)C(=O)O

InChI

InChI=1S/C19H20N4O2.C4H2O4/c1-23(2)13-4-6-18-15(10-13)14-9-12(3-5-17(14)25-18)22-19(24)16-7-8-20-11-21-16;5-3(6)1-2-4(7)8/h3,5,7-9,11,13H,4,6,10H2,1-2H3,(H,22,24);(H,5,6)(H,7,8)