N4-hexyl-N2-(4-iodanyl-2-methyl-phenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N4-hexyl-N2-(4-iodanyl-2-methyl-phenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N4-hexyl-N2-(4-iodo-2-methyl-phenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine CAS Name: N4-hexyl-N2-(4-iodo-2-methylphenyl)-6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 4-N-hexyl-2-N-(4-iodo-2-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: hexyl-[4-(4-iodo-2-methyl-anilino)-6-pyrrolidino-s-triazin-2-yl]amine Formula: C20H29IN6 MolecularWeight: 480.38893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=NC(=N1)NC2=C(C=C(C=C2)I)C)N3CCCC3

Isomeric SMILES

CCCCCCNC1=NC(=NC(=N1)NC2=C(C=C(C=C2)I)C)N3CCCC3

InChI

InChI=1S/C20H29IN6/c1-3-4-5-6-11-22-18-24-19(23-17-10-9-16(21)14-15(17)2)26-20(25-18)27-12-7-8-13-27/h9-10,14H,3-8,11-13H2,1-2H3,(H2,22,23,24,25,26)