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

Systemtic Name: 3-(6-chloranyl-2-fluoranyl-3-methoxy-phenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(6-chloro-2-fluoro-3-methoxy-phenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(6-chloro-2-fluoro-3-methoxy-phenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H36ClFN6O2 MolecularWeight: 519.054443

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCNC1=NC=C2CN(C(=O)N(C2=N1)C3CCCC3)C4=C(C=CC(=C4F)OC)Cl

Isomeric SMILES

CCN(CC)CCCCNC1=NC=C2CN(C(=O)N(C2=N1)C3CCCC3)C4=C(C=CC(=C4F)OC)Cl

InChI

InChI=1S/C26H36ClFN6O2/c1-4-32(5-2)15-9-8-14-29-25-30-16-18-17-33(23-20(27)12-13-21(36-3)22(23)28)26(35)34(24(18)31-25)19-10-6-7-11-19/h12-13,16,19H,4-11,14-15,17H2,1-3H3,(H,29,30,31)