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

Systemtic Name: 3-(6-chloranyl-2-fluoranyl-3-methoxy-phenyl)-1-cyclopropyl-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(6-chloro-2-fluoro-3-methoxy-phenyl)-1-cyclopropyl-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1-cyclopropyl-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(6-chloro-2-fluoro-3-methoxyphenyl)-1-cyclopropyl-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(6-chloro-2-fluoro-3-methoxy-phenyl)-1-cyclopropyl-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H25ClFN5O3 MolecularWeight: 461.917003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Cl)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)O)F

Isomeric SMILES

COC1=C(C(=C(C=C1)Cl)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)O)F

InChI

InChI=1S/C22H25ClFN5O3/c1-32-17-9-8-16(23)19(18(17)24)28-11-12-10-25-21(26-13-2-6-15(30)7-3-13)27-20(12)29(22(28)31)14-4-5-14/h8-10,13-15,30H,2-7,11H2,1H3,(H,25,26,27)