calcium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]imidazo[4,5-b]pyridin-3-ide

Systemtic Name: calcium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]imidazo[4,5-b]pyridin-3-ide Openeye Name: calcium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]imidazo[4,5-b]pyridin-3-ide CAS Name: calcium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridin-3-ide IUPAC Name: calcium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]imidazo[4,5-b]pyridin-3-ide Traditional Name: calcium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]imidazo[4,5-b]pyridin-3-ide Formula: C32H34CaN8O6S2 MolecularWeight: 730.87036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)N=C(C=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)N=C(C=C3)OC.[Ca+2]

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)N=C(C=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)N=C(C=C3)OC.[Ca+2]

InChI

InChI=1S/2C16H17N4O3S.Ca/c2*1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16;/h2*5-7H,8H2,1-4H3;/q2*-1;+2