6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole; 2-methylpropan-2-amine

Systemtic Name: 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole; 2-methylpropan-2-amine Openeye Name: 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole; 2-methylpropan-2-amine CAS Name: 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole; 2-methyl-2-propanamine IUPAC Name: 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole; 2-methylpropan-2-amine Traditional Name: tert-butylamine; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.CC(C)(C)N

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC.CC(C)(C)N

InChI

InChI=1S/C17H19N3O3S.C4H11N/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;1-4(2,3)5/h5-8H,9H2,1-4H3,(H,19,20);5H2,1-3H3/t24-;/m0./s1