3-(1-cyclohexyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]azetidine-1-carboxamide

Systemtic Name: 3-(1-cyclohexyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]azetidine-1-carboxamide Openeye Name: 3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(4-isopropylpiperazin-1-yl)phenyl]azetidine-1-carboxamide CAS Name: 3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(4-propan-2-yl-1-piperazinyl)phenyl]-1-azetidinecarboxamide IUPAC Name: 3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]azetidine-1-carboxamide Traditional Name: 3-(1-cyclohexyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(4-isopropylpiperazino)phenyl]azetidine-1-carboxamide Formula: C28H38N8O2 MolecularWeight: 518.65372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)N3CC(C3)C4=NC(=O)C5=CNN(C5=N4)C6CCCCC6

Isomeric SMILES

CC(C)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)N3CC(C3)C4=NC(=O)C5=CNN(C5=N4)C6CCCCC6

InChI

InChI=1S/C28H38N8O2/c1-19(2)33-12-14-34(15-13-33)22-10-8-21(9-11-22)30-28(38)35-17-20(18-35)25-31-26-24(27(37)32-25)16-29-36(26)23-6-4-3-5-7-23/h8-11,16,19-20,23,29H,3-7,12-15,17-18H2,1-2H3,(H,30,38)