(E)-but-2-enedioic acid; N4-ethyl-N2-phenethyl-1,3,5-triazine-2,4,6-triamine

Systemtic Name: (E)-but-2-enedioic acid; N4-ethyl-N2-phenethyl-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-ethyl-N2-phenethyl-1,3,5-triazine-2,4,6-triamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N4-ethyl-N2-phenethyl-1,3,5-triazine-2,4,6-triamine IUPAC Name: (E)-but-2-enedioic acid; 4-N-ethyl-2-N-phenethyl-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-amino-6-(ethylamino)-s-triazin-2-yl]-phenethyl-amine; fumaric acid Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)N)NCCC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCNC1=NC(=NC(=N1)N)NCCC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H18N6.C4H4O4/c1-2-15-12-17-11(14)18-13(19-12)16-9-8-10-6-4-3-5-7-10;5-3(6)1-2-4(7)8/h3-7H,2,8-9H2,1H3,(H4,14,15,16,17,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+