1-[4-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-purin-9-yl]piperidin-1-yl]butan-1-one

Systemtic Name: 1-[4-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-purin-9-yl]piperidin-1-yl]butan-1-one Openeye Name: 1-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholino-purin-9-yl]-1-piperidyl]butan-1-one CAS Name: 1-[4-[6-(2-amino-5-pyrimidinyl)-2-(4-morpholinyl)-9-purinyl]-1-piperidinyl]-1-butanone IUPAC Name: 1-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]butan-1-one Traditional Name: 1-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholino-purin-9-yl]piperidino]butan-1-one Formula: C22H29N9O2 MolecularWeight: 451.52476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(CC1)N2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CN=C(N=C5)N

Isomeric SMILES

CCCC(=O)N1CCC(CC1)N2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CN=C(N=C5)N

InChI

InChI=1S/C22H29N9O2/c1-2-3-17(32)29-6-4-16(5-7-29)31-14-26-19-18(15-12-24-21(23)25-13-15)27-22(28-20(19)31)30-8-10-33-11-9-30/h12-14,16H,2-11H2,1H3,(H2,23,24,25)