IUPAC: 5-[6-(3-methylmorpholin-4-yl)-9-(2-methylpropyl)-8-piperazin-1-ylpurin-2-yl]pyrimidin-2-amine
SMILES:
CC(C)Cn1c(N2CCNCC2)nc2c(N3CCOCC3C)nc(-c3cnc(N)nc3)nc21Canonical SMILES:
CC1COCCN1C2=NC(=NC3=C2N=C(N3CC(C)C)N4CCNCC4)C5=CN=C(N=C5)NMolecular formula: C22H32N10O
Molecular weight: 452.60
InChIKey: BIFUKZJFDJZZAS-UHFFFAOYSA-N
InChI:
PubChem CID: 72257633 →InChI=1S/C22H32N10O/c1-14(2)12-32-20-17(27-22(32)30-6-4-24-5-7-30)19(31-8-9-33-13-15(31)3)28-18(29-20)16-10-25-21(23)26-11-16/h10-11,14-15,24H,4-9,12-13H2,1-3H3,(H2,23,25,26)