4-[1-(4-iodanyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[1-(4-iodanyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[1-(4-iodo-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[1-(4-iodo-2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-(4-iodo-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[1-(4-iodo-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C18H18IN5O3 MolecularWeight: 479.27169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)O

InChI

InChI=1S/C18H18IN5O3/c1-11-8-12(19)2-3-15(11)24-16-14(9-22-24)17(21-10-20-16)27-13-4-6-23(7-5-13)18(25)26/h2-3,8-10,13H,4-7H2,1H3,(H,25,26)