2-[1-(4-methoxyphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-methylcyclohexyl)ethanamide

Systemtic Name: 2-[1-(4-methoxyphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-methylcyclohexyl)ethanamide Openeye Name: 2-[1-(4-methoxyphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-methylcyclohexyl)acetamide CAS Name: 2-[1-(4-methoxyphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-(2-methylcyclohexyl)acetamide IUPAC Name: 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-methylcyclohexyl)acetamide Traditional Name: 2-[4-keto-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-methylcyclohexyl)acetamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1CCCCC1NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N5O3/c1-14-5-3-4-6-18(14)24-19(27)12-25-13-22-20-17(21(25)28)11-23-26(20)15-7-9-16(29-2)10-8-15/h7-11,13-14,18H,3-6,12H2,1-2H3,(H,24,27)