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

Systemtic Name: 4-[9-ethyl-2-(1H-indol-4-yl)-8-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]purin-6-yl]morpholine Openeye Name: 4-[9-ethyl-2-(1H-indol-4-yl)-8-[(4-pyrazol-1-yl-1-piperidyl)methyl]purin-6-yl]morpholine CAS Name: 4-[9-ethyl-2-(1H-indol-4-yl)-8-[[4-(1-pyrazolyl)-1-piperidinyl]methyl]-6-purinyl]morpholine IUPAC Name: 4-[9-ethyl-2-(1H-indol-4-yl)-8-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]purin-6-yl]morpholine Traditional Name: 4-[9-ethyl-2-(1H-indol-4-yl)-8-[(4-pyrazol-1-ylpiperidino)methyl]purin-6-yl]morpholine Formula: C28H33N9O MolecularWeight: 511.62132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=CNC5=CC=C4)CN6CCC(CC6)N7C=CC=N7

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=CNC5=CC=C4)CN6CCC(CC6)N7C=CC=N7

InChI

InChI=1S/C28H33N9O/c1-2-36-24(19-34-13-8-20(9-14-34)37-12-4-10-30-37)31-25-27(35-15-17-38-18-16-35)32-26(33-28(25)36)22-5-3-6-23-21(22)7-11-29-23/h3-7,10-12,20,29H,2,8-9,13-19H2,1H3