[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-pyridin-4-yl]oxymethyl-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-pyridin-4-yl]oxymethyl-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [hydroxy-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-pyridyl]oxymethyl]phosphoryl]methylphosphonic acid CAS Name: [hydroxy-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-pyridinyl]oxymethyl]phosphoryl]methylphosphonic acid IUPAC Name: [hydroxy-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethylpyridin-4-yl]oxymethyl]phosphoryl]methylphosphonic acid Traditional Name: [hydroxy-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-4-pyridyl]oxymethyl]phosphoryl]methylphosphonic acid Formula: C18H23N3O8P2S MolecularWeight: 503.403042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OCP(=O)(CP(=O)(O)O)O)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC1=CN=C(C(=C1OCP(=O)(CP(=O)(O)O)O)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C18H23N3O8P2S/c1-11-7-19-16(12(2)17(11)29-9-30(22,23)10-31(24,25)26)8-32(27)18-20-14-5-4-13(28-3)6-15(14)21-18/h4-7H,8-10H2,1-3H3,(H,20,21)(H,22,23)(H2,24,25,26)