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

Systemtic Name: 6-methoxy-2-[(5-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-methoxy-2-[(5-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-methoxy-2-[[5-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methylthio]-1H-benzimidazole IUPAC Name: 6-methoxy-2-[(5-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-methoxy-2-[(5-methyl-6-pyrrolidino-pyrimidin-4-yl)methylthio]-1H-benzimidazole Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1N2CCCC2)CSC3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

CC1=C(N=CN=C1N2CCCC2)CSC3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C18H21N5OS/c1-12-16(19-11-20-17(12)23-7-3-4-8-23)10-25-18-21-14-6-5-13(24-2)9-15(14)22-18/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,21,22)