3-(2-chloranyl-3-ethoxy-6-fluoranyl-5-oxidanyl-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-oxidanyl-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-hydroxy-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-hydroxyphenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-hydroxyphenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-hydroxy-phenyl)-1-cyclopentyl-7-[4-(diethylamino)butylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C27H38ClFN6O3 MolecularWeight: 549.080423

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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)O)F

Isomeric SMILES

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

InChI

InChI=1S/C27H38ClFN6O3/c1-4-33(5-2)14-10-9-13-30-26-31-16-18-17-34(24-22(28)21(38-6-3)15-20(36)23(24)29)27(37)35(25(18)32-26)19-11-7-8-12-19/h15-16,19,36H,4-14,17H2,1-3H3,(H,30,31,32)