3-(2-chloranyl-6-fluoranyl-3-methoxy-5-oxidanyl-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-methoxy-5-oxidanyl-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-5-hydroxy-3-methoxy-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-5-hydroxy-3-methoxyphenyl)-1-cyclopentyl-7-[5-(4-methyl-1-piperazinyl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chloro-6-fluoro-5-hydroxy-3-methoxyphenyl)-1-cyclopentyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chloro-6-fluoro-5-hydroxy-3-methoxy-phenyl)-1-cyclopentyl-7-[5-(4-methylpiperazino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C28H39ClFN7O3 MolecularWeight: 576.105763

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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)O)F

Isomeric SMILES

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

InChI

InChI=1S/C28H39ClFN7O3/c1-34-12-14-35(15-13-34)11-7-3-6-10-31-27-32-17-19-18-36(25-23(29)22(40-2)16-21(38)24(25)30)28(39)37(26(19)33-27)20-8-4-5-9-20/h16-17,20,38H,3-15,18H2,1-2H3,(H,31,32,33)