calcium 6-methoxy-2-[(4-piperidin-1-ylpyrimidin-2-yl)methylsulfinyl]-1H-benzimidazole

Systemtic Name: calcium 6-methoxy-2-[(4-piperidin-1-ylpyrimidin-2-yl)methylsulfinyl]-1H-benzimidazole Openeye Name: calcium 6-methoxy-2-[[4-(1-piperidyl)pyrimidin-2-yl]methylsulfinyl]-1H-benzimidazole CAS Name: calcium 6-methoxy-2-[[4-(1-piperidinyl)-2-pyrimidinyl]methylsulfinyl]-1H-benzimidazole IUPAC Name: calcium 6-methoxy-2-[(4-piperidin-1-ylpyrimidin-2-yl)methylsulfinyl]-1H-benzimidazole Traditional Name: calcium 6-methoxy-2-[(4-piperidinopyrimidin-2-yl)methylsulfinyl]-1H-benzimidazole Formula: C18H21CaN5O2S+2 MolecularWeight: 411.53464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)S(=O)CC3=NC=CC(=N3)N4CCCCC4.[Ca+2]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)S(=O)CC3=NC=CC(=N3)N4CCCCC4.[Ca+2]

InChI

InChI=1S/C18H21N5O2S.Ca/c1-25-13-5-6-14-15(11-13)21-18(20-14)26(24)12-16-19-8-7-17(22-16)23-9-3-2-4-10-23;/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,21);/q;+2