phthalic acid; N2,N2,N4-tributyl-1,3,5-triazine-2,4,6-triamine

Systemtic Name: phthalic acid; N2,N2,N4-tributyl-1,3,5-triazine-2,4,6-triamine Openeye Name: phthalic acid; N2,N2,N4-tributyl-1,3,5-triazine-2,4,6-triamine CAS Name: phthalic acid; N2,N2,N4-tributyl-1,3,5-triazine-2,4,6-triamine IUPAC Name: phthalic acid; 2-N,2-N,4-N-tributyl-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-amino-6-(butylamino)-s-triazin-2-yl]-dibutyl-amine; phthalic acid Formula: C23H36N6O4 MolecularWeight: 460.56974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=N1)N)N(CCCC)CCCC.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCNC1=NC(=NC(=N1)N)N(CCCC)CCCC.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C15H30N6.C8H6O4/c1-4-7-10-17-14-18-13(16)19-15(20-14)21(11-8-5-2)12-9-6-3;9-7(10)5-3-1-2-4-6(5)8(11)12/h4-12H2,1-3H3,(H3,16,17,18,19,20);1-4H,(H,9,10)(H,11,12)