3-(2-chloranyl-3-ethoxy-6-fluoranyl-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-3-ethoxy-6-fluoranyl-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-3-ethoxy-6-fluoro-5-hydroxy-phenyl)-1-cyclopentyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-hydroxyphenyl)-1-cyclopentyl-7-[5-(4-methyl-1-piperazinyl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-hydroxyphenyl)-1-cyclopentyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-hydroxy-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:

CCOC1=C(C(=C(C(=C1)O)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCCCCCN5CCN(CC5)C)Cl

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)O)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCCCCCN5CCN(CC5)C)Cl

InChI

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