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

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-3-methoxy-5-oxidanyl-phenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chloro-6-fluoro-5-hydroxy-3-methoxy-phenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chloro-6-fluoro-5-hydroxy-3-methoxyphenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chloro-6-fluoro-5-hydroxy-3-methoxyphenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chloro-6-fluoro-5-hydroxy-3-methoxy-phenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H36ClFN6O3 MolecularWeight: 535.053843

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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(=C4Cl)OC)O)F

Isomeric SMILES

CCN(CC)CCCCNC1=NC=C2CN(C(=O)N(C2=N1)C3CCCC3)C4=C(C(=CC(=C4Cl)OC)O)F

InChI

InChI=1S/C26H36ClFN6O3/c1-4-32(5-2)13-9-8-12-29-25-30-15-17-16-33(23-21(27)20(37-3)14-19(35)22(23)28)26(36)34(24(17)31-25)18-10-6-7-11-18/h14-15,18,35H,4-13,16H2,1-3H3,(H,29,30,31)