cyclohexylmethyl 3-(1-cyclohexyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate

Systemtic Name: cyclohexylmethyl 3-(1-cyclohexyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate Openeye Name: cyclohexylmethyl 3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate CAS Name: 3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-azetidinecarboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate Traditional Name: 3-(1-cyclohexyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylic acid cyclohexylmethyl ester Formula: C22H31N5O3 MolecularWeight: 413.51324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)N2CC(C2)C3=NC(=O)C4=CNN(C4=N3)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)COC(=O)N2CC(C2)C3=NC(=O)C4=CNN(C4=N3)C5CCCCC5

InChI

InChI=1S/C22H31N5O3/c28-21-18-11-23-27(17-9-5-2-6-10-17)20(18)24-19(25-21)16-12-26(13-16)22(29)30-14-15-7-3-1-4-8-15/h11,15-17,23H,1-10,12-14H2