3-(2-chloranyl-6-fluoranyl-3,5-dimethoxy-phenyl)-1-cyclopentyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-3,5-dimethoxy-phenyl)-1-cyclopentyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chloro-6-fluoro-3,5-dimethoxy-phenyl)-1-cyclopentyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-cyclopentyl-7-[5-(4-methyl-1-piperazinyl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-1-cyclopentyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chloro-6-fluoro-3,5-dimethoxy-phenyl)-1-cyclopentyl-7-[5-(4-methylpiperazino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C29H41ClFN7O3 MolecularWeight: 590.132343

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCNC2=NC=C3CN(C(=O)N(C3=N2)C4CCCC4)C5=C(C(=CC(=C5Cl)OC)OC)F

Isomeric SMILES

CN1CCN(CC1)CCCCCNC2=NC=C3CN(C(=O)N(C3=N2)C4CCCC4)C5=C(C(=CC(=C5Cl)OC)OC)F

InChI

InChI=1S/C29H41ClFN7O3/c1-35-13-15-36(16-14-35)12-8-4-7-11-32-28-33-18-20-19-37(26-24(30)22(40-2)17-23(41-3)25(26)31)29(39)38(27(20)34-28)21-9-5-6-10-21/h17-18,21H,4-16,19H2,1-3H3,(H,32,33,34)