3-[2,6-bis(fluoranyl)-3-methoxy-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-methoxy-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-methoxy-phenyl)-7-[5-(diisopropylamino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(2,6-difluoro-3-methoxyphenyl)-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-methoxyphenyl)-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-methoxy-phenyl)-7-[5-(diisopropylamino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C29H42F2N6O2 MolecularWeight: 544.679586

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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)OC)F)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H42F2N6O2/c1-19(2)35(20(3)4)16-10-6-9-15-32-28-33-17-21-18-36(26-23(30)13-14-24(39-5)25(26)31)29(38)37(27(21)34-28)22-11-7-8-12-22/h13-14,17,19-20,22H,6-12,15-16,18H2,1-5H3,(H,32,33,34)