2-fluoranyl-4-[(7-methyl-8-oxidanylidene-9-propan-2-yl-purin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide

Systemtic Name: 2-fluoranyl-4-[(7-methyl-8-oxidanylidene-9-propan-2-yl-purin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide Openeye Name: 2-fluoro-4-[(9-isopropyl-7-methyl-8-oxo-purin-2-yl)amino]-N-(1-methyl-4-piperidyl)benzamide CAS Name: 2-fluoro-4-[(7-methyl-8-oxo-9-propan-2-yl-2-purinyl)amino]-N-(1-methyl-4-piperidinyl)benzamide IUPAC Name: 2-fluoro-4-[(7-methyl-8-oxo-9-propan-2-ylpurin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide Traditional Name: 2-fluoro-4-[(9-isopropyl-8-keto-7-methyl-purin-2-yl)amino]-N-(1-methyl-4-piperidyl)benzamide Formula: C22H28FN7O2 MolecularWeight: 441.501823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC(=NC=C2N(C1=O)C)NC3=CC(=C(C=C3)C(=O)NC4CCN(CC4)C)F

Isomeric SMILES

CC(C)N1C2=NC(=NC=C2N(C1=O)C)NC3=CC(=C(C=C3)C(=O)NC4CCN(CC4)C)F

InChI

InChI=1S/C22H28FN7O2/c1-13(2)30-19-18(29(4)22(30)32)12-24-21(27-19)26-15-5-6-16(17(23)11-15)20(31)25-14-7-9-28(3)10-8-14/h5-6,11-14H,7-10H2,1-4H3,(H,25,31)(H,24,26,27)