1-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-3-propyl-benzimidazol-2-one

Systemtic Name: 1-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-3-propyl-benzimidazol-2-one Openeye Name: 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-3-propyl-benzimidazol-2-one CAS Name: 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-3-propyl-2-benzimidazolone IUPAC Name: 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-3-propylbenzimidazol-2-one Traditional Name: 1-[[4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl]-3-propyl-benzimidazol-2-one Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC3=NC(=NC(=N3)NC4=CC=CC=C4CC)N

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC3=NC(=NC(=N3)NC4=CC=CC=C4CC)N

InChI

InChI=1S/C22H25N7O/c1-3-13-28-17-11-7-8-12-18(17)29(22(28)30)14-19-25-20(23)27-21(26-19)24-16-10-6-5-9-15(16)4-2/h5-12H,3-4,13-14H2,1-2H3,(H3,23,24,25,26,27)