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

Systemtic Name: 3-(6-chloranyl-3-ethoxy-2-fluoranyl-phenyl)-1-cyclopropyl-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(6-chloro-3-ethoxy-2-fluoro-phenyl)-1-cyclopropyl-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(6-chloro-3-ethoxy-2-fluorophenyl)-1-cyclopropyl-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(6-chloro-3-ethoxy-2-fluorophenyl)-1-cyclopropyl-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(6-chloro-3-ethoxy-2-fluoro-phenyl)-1-cyclopropyl-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C23H27ClFN5O3 MolecularWeight: 475.943583

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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)O)F

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClFN5O3/c1-2-33-18-10-9-17(24)20(19(18)25)29-12-13-11-26-22(27-14-3-7-16(31)8-4-14)28-21(13)30(23(29)32)15-5-6-15/h9-11,14-16,31H,2-8,12H2,1H3,(H,26,27,28)