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

Systemtic Name: 3-(6-chloranyl-2-fluoranyl-3-methoxy-phenyl)-1-cyclopentyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(6-chloro-2-fluoro-3-methoxy-phenyl)-1-cyclopentyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1-cyclopentyl-7-[5-(4-methyl-1-piperazinyl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1-cyclopentyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(6-chloro-2-fluoro-3-methoxy-phenyl)-1-cyclopentyl-7-[5-(4-methylpiperazino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C28H39ClFN7O2 MolecularWeight: 560.106363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCNC2=NC=C3CN(C(=O)N(C3=N2)C4CCCC4)C5=C(C=CC(=C5F)OC)Cl

Isomeric SMILES

CN1CCN(CC1)CCCCCNC2=NC=C3CN(C(=O)N(C3=N2)C4CCCC4)C5=C(C=CC(=C5F)OC)Cl

InChI

InChI=1S/C28H39ClFN7O2/c1-34-14-16-35(17-15-34)13-7-3-6-12-31-27-32-18-20-19-36(25-22(29)10-11-23(39-2)24(25)30)28(38)37(26(20)33-27)21-8-4-5-9-21/h10-11,18,21H,3-9,12-17,19H2,1-2H3,(H,31,32,33)