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

Systemtic Name: 6-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]-s-triazin-2-yl]amine Formula: C18H16ClN7S MolecularWeight: 397.88454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C18H16ClN7S/c19-12-6-7-14-13(8-12)22-18(26(14)9-11-4-2-1-3-5-11)27-10-15-23-16(20)25-17(21)24-15/h1-8H,9-10H2,(H4,20,21,23,24,25)