4-[9-ethyl-2-(5-fluoranyl-1H-indol-4-yl)-8-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]purin-6-yl]morpholine

Systemtic Name: 4-[9-ethyl-2-(5-fluoranyl-1H-indol-4-yl)-8-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]purin-6-yl]morpholine Openeye Name: 4-[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-8-[(4-pyrazol-1-yl-1-piperidyl)methyl]purin-6-yl]morpholine CAS Name: 4-[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-8-[[4-(1-pyrazolyl)-1-piperidinyl]methyl]-6-purinyl]morpholine IUPAC Name: 4-[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-8-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]purin-6-yl]morpholine Traditional Name: 4-[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-8-[(4-pyrazol-1-ylpiperidino)methyl]purin-6-yl]morpholine Formula: C28H32FN9O MolecularWeight: 529.611783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C(C=CC5=C4C=CN5)F)CN6CCC(CC6)N7C=CC=N7

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C(C=CC5=C4C=CN5)F)CN6CCC(CC6)N7C=CC=N7

InChI

InChI=1S/C28H32FN9O/c1-2-37-23(18-35-12-7-19(8-13-35)38-11-3-9-31-38)32-25-27(36-14-16-39-17-15-36)33-26(34-28(25)37)24-20-6-10-30-22(20)5-4-21(24)29/h3-6,9-11,19,30H,2,7-8,12-18H2,1H3