3-[2,6-bis(fluoranyl)-3-oxidanyl-phenyl]-1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-[2,6-bis(fluoranyl)-3-oxidanyl-phenyl]-1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(2,6-difluoro-3-hydroxy-phenyl)-7-[5-(diisopropylamino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(2,6-difluoro-3-hydroxyphenyl)-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(2,6-difluoro-3-hydroxyphenyl)-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(2,6-difluoro-3-hydroxy-phenyl)-7-[5-(diisopropylamino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C28H40F2N6O2 MolecularWeight: 530.653006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCCNC1=NC=C2CN(C(=O)N(C2=N1)C3CCCC3)C4=C(C=CC(=C4F)O)F)C(C)C

Isomeric SMILES

CC(C)N(CCCCCNC1=NC=C2CN(C(=O)N(C2=N1)C3CCCC3)C4=C(C=CC(=C4F)O)F)C(C)C

InChI

InChI=1S/C28H40F2N6O2/c1-18(2)34(19(3)4)15-9-5-8-14-31-27-32-16-20-17-35(25-22(29)12-13-23(37)24(25)30)28(38)36(26(20)33-27)21-10-6-7-11-21/h12-13,16,18-19,21,37H,5-11,14-15,17H2,1-4H3,(H,31,32,33)