(E)-but-2-enedioic acid; 2-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl-methyl-amino]pyrimidine-4-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl-methyl-amino]pyrimidine-4-carboxamide Openeye Name: 2-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl-methyl-amino]pyrimidine-4-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[2-[4-(2-cyclopropylphenyl)-1-piperazinyl]ethyl-methylamino]-4-pyrimidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 2-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl-methylamino]pyrimidine-4-carboxamide Traditional Name: 2-[2-[4-(2-cyclopropylphenyl)piperazino]ethyl-methyl-amino]pyrimidine-4-carboxamide; fumaric acid Formula: C25H32N6O5 MolecularWeight: 496.55878

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCN(CC1)C2=CC=CC=C2C3CC3)C4=NC=CC(=N4)C(=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCN1CCN(CC1)C2=CC=CC=C2C3CC3)C4=NC=CC(=N4)C(=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H28N6O.C4H4O4/c1-25(21-23-9-8-18(24-21)20(22)28)10-11-26-12-14-27(15-13-26)19-5-3-2-4-17(19)16-6-7-16;5-3(6)1-2-4(7)8/h2-5,8-9,16H,6-7,10-15H2,1H3,(H2,22,28);1-2H,(H,5,6)(H,7,8)/b;2-1+