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

Systemtic Name: 3-(2-chloranyl-3-ethoxy-6-fluoranyl-5-methoxy-phenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-methoxy-phenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-methoxyphenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-methoxyphenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-methoxy-phenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C28H40ClFN6O3 MolecularWeight: 563.107003

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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)OCC)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C28H40ClFN6O3/c1-5-34(6-2)15-11-10-14-31-27-32-17-19-18-35(28(37)36(26(19)33-27)20-12-8-9-13-20)25-23(29)21(39-7-3)16-22(38-4)24(25)30/h16-17,20H,5-15,18H2,1-4H3,(H,31,32,33)