2-[[4-chloranyl-6-methyl-5-(phenylmethyl)pyrimidin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[4-chloranyl-6-methyl-5-(phenylmethyl)pyrimidin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(5-benzyl-4-chloro-6-methyl-pyrimidin-2-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[4-chloro-6-methyl-5-(phenylmethyl)-2-pyrimidinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[(5-benzyl-4-chloro-6-methylpyrimidin-2-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(5-benzyl-4-chloro-6-methyl-pyrimidin-2-yl)methylthio]-1H-benzimidazole Formula: C20H17ClN4S MolecularWeight: 380.89378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)CSC2=NC3=CC=CC=C3N2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)CSC2=NC3=CC=CC=C3N2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4S/c1-13-15(11-14-7-3-2-4-8-14)19(21)25-18(22-13)12-26-20-23-16-9-5-6-10-17(16)24-20/h2-10H,11-12H2,1H3,(H,23,24)