6-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(1-p-phenetylbenzimidazol-2-yl)thio]methyl]-s-triazin-2-yl]amine Formula: C19H19N7OS MolecularWeight: 393.46546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C19H19N7OS/c1-2-27-13-9-7-12(8-10-13)26-15-6-4-3-5-14(15)22-19(26)28-11-16-23-17(20)25-18(21)24-16/h3-10H,2,11H2,1H3,(H4,20,21,23,24,25)