2-[[3-ethyl-7-methoxy-5-(5-methylsulfonyl-2-propoxy-phenyl)pyrazolo[4,3-d]pyrimidin-1-yl]methyl]piperidine-1-sulfonic acid

Systemtic Name: 2-[[3-ethyl-7-methoxy-5-(5-methylsulfonyl-2-propoxy-phenyl)pyrazolo[4,3-d]pyrimidin-1-yl]methyl]piperidine-1-sulfonic acid Openeye Name: 2-[[3-ethyl-7-methoxy-5-(5-methylsulfonyl-2-propoxy-phenyl)pyrazolo[4,3-d]pyrimidin-1-yl]methyl]piperidine-1-sulfonic acid CAS Name: 2-[[3-ethyl-7-methoxy-5-(5-methylsulfonyl-2-propoxyphenyl)-1-pyrazolo[4,3-d]pyrimidinyl]methyl]-1-piperidinesulfonic acid IUPAC Name: 2-[[3-ethyl-7-methoxy-5-(5-methylsulfonyl-2-propoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]methyl]piperidine-1-sulfonic acid Traditional Name: 2-[[3-ethyl-5-(5-mesyl-2-propoxy-phenyl)-7-methoxy-pyrazolo[4,3-d]pyrimidin-1-yl]methyl]piperidine-1-sulfonic acid Formula: C24H33N5O7S2 MolecularWeight: 567.67812

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC3=C(C(=N2)OC)N(N=C3CC)CC4CCCCN4S(=O)(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC3=C(C(=N2)OC)N(N=C3CC)CC4CCCCN4S(=O)(=O)O

InChI

InChI=1S/C24H33N5O7S2/c1-5-13-36-20-11-10-17(37(4,30)31)14-18(20)23-25-21-19(6-2)27-28(22(21)24(26-23)35-3)15-16-9-7-8-12-29(16)38(32,33)34/h10-11,14,16H,5-9,12-13,15H2,1-4H3,(H,32,33,34)