3-[3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]propyl]-1H-benzimidazol-2-one Formula: C20H21N7OS MolecularWeight: 407.49204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H21N7OS/c21-18-24-17(25-19(26-18)22-14-7-2-1-3-8-14)13-29-12-6-11-27-16-10-5-4-9-15(16)23-20(27)28/h1-5,7-10H,6,11-13H2,(H,23,28)(H3,21,22,24,25,26)