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

Systemtic Name: (Z)-but-2-enedioic acid; N4-phenethyl-N2,N2-dipropyl-1,3,5-triazine-2,4,6-triamine Openeye Name: maleic acid; N4-phenethyl-N2,N2-dipropyl-1,3,5-triazine-2,4,6-triamine CAS Name: (Z)-2-butenedioic acid; N4-phenethyl-N2,N2-dipropyl-1,3,5-triazine-2,4,6-triamine IUPAC Name: (Z)-but-2-enedioic acid; 4-N-phenethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-amino-6-(phenethylamino)-s-triazin-2-yl]-dipropyl-amine; maleic acid Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=NC(=NC(=N1)NCCC2=CC=CC=C2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(CCC)C1=NC(=NC(=N1)NCCC2=CC=CC=C2)N.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H26N6.C4H4O4/c1-3-12-23(13-4-2)17-21-15(18)20-16(22-17)19-11-10-14-8-6-5-7-9-14;5-3(6)1-2-4(7)8/h5-9H,3-4,10-13H2,1-2H3,(H3,18,19,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1-