N2-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N2-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N2-(1-methyl-4-piperidyl)-1,3,5-triazine-2,4,6-triamine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N2-(1-methyl-4-piperidinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine Traditional Name: citric acid; (4,6-diamino-s-triazin-2-yl)-(1-methyl-4-piperidyl)amine Formula: C15H25N7O7 MolecularWeight: 415.4017

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2=NC(=NC(=N2)N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)NC2=NC(=NC(=N2)N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C9H17N7.C6H8O7/c1-16-4-2-6(3-5-16)12-9-14-7(10)13-8(11)15-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h6H,2-5H2,1H3,(H5,10,11,12,13,14,15);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)