IUPAC: 2-[[3-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]isoindole-1,3-dione
SMILES:
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2C(=O)c3ccccc3C2=O)C1Canonical SMILES:
C1C(CC1N2C=C(C3=C(N=CN=C32)N)C4=CC(=CC=C4)OCC5=CC=CC=C5)CN6C(=O)C7=CC=CC=C7C6=O分子式: C32H27N5O3
分子量: 529.60
InChIKey: QVBCUJOYJSPFJF-UHFFFAOYSA-N
InChI:
PubChem CID: 69203171 →InChI=1S/C32H27N5O3/c33-29-28-27(22-9-6-10-24(15-22)40-18-20-7-2-1-3-8-20)17-36(30(28)35-19-34-29)23-13-21(14-23)16-37-31(38)25-11-4-5-12-26(25)32(37)39/h1-12,15,17,19,21,23H,13-14,16,18H2,(H2,33,34,35)同義語
SCHEMBL4818473SCHEMBL4818477SCHEMBL4826677QVBCUJOYJSPFJF-AFARHQOCSA-NQVBCUJOYJSPFJF-DKXQDJALSA-Ncis-2-{3-[4-amino-5-(3-benzyloxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl}-isoindole-1,3-dionecis-2-{3-[4-amino-5-(3-benzyloxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl}isoindole-1,3-dionetrans-2-{3-[4-amino-5-(3-benzyloxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl}-isoindole-1,3-dione
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