N2-(1,3-benzothiazol-6-yl)-6-chloranyl-N4-(2-phenylbutyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(1,3-benzothiazol-6-yl)-6-chloranyl-N4-(2-phenylbutyl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-(1,3-benzothiazol-6-yl)-6-chloro-N4-(2-phenylbutyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(1,3-benzothiazol-6-yl)-6-chloro-N4-(2-phenylbutyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-(2-phenylbutyl)-1,3,5-triazine-2,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-[4-chloro-6-(2-phenylbutylamino)-s-triazin-2-yl]amine Formula: C20H19ClN6S MolecularWeight: 410.92306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=NC(=NC(=N1)NC2=CC3=C(C=C2)N=CS3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCC(CNC1=NC(=NC(=N1)NC2=CC3=C(C=C2)N=CS3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN6S/c1-2-13(14-6-4-3-5-7-14)11-22-19-25-18(21)26-20(27-19)24-15-8-9-16-17(10-15)28-12-23-16/h3-10,12-13H,2,11H2,1H3,(H2,22,24,25,26,27)