3-(6-chloranyl-3-ethoxy-2-fluoranyl-phenyl)-1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(6-chloranyl-3-ethoxy-2-fluoranyl-phenyl)-1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(6-chloro-3-ethoxy-2-fluoro-phenyl)-1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(6-chloro-3-ethoxy-2-fluorophenyl)-1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(6-chloro-3-ethoxy-2-fluorophenyl)-1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(6-chloro-3-ethoxy-2-fluoro-phenyl)-1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H32ClFN6O2 MolecularWeight: 503.011983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)Cl)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)N(C)C)F

Isomeric SMILES

CCOC1=C(C(=C(C=C1)Cl)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)N(C)C)F

InChI

InChI=1S/C25H32ClFN6O2/c1-4-35-20-12-11-19(26)22(21(20)27)32-14-15-13-28-24(29-16-5-7-17(8-6-16)31(2)3)30-23(15)33(25(32)34)18-9-10-18/h11-13,16-18H,4-10,14H2,1-3H3,(H,28,29,30)