3-[2,6-bis(fluoranyl)-3-oxidanyl-phenyl]-1-cyclopentyl-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-[2,6-bis(fluoranyl)-3-oxidanyl-phenyl]-1-cyclopentyl-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(2,6-difluoro-3-hydroxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(2,6-difluoro-3-hydroxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(2,6-difluoro-3-hydroxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(2,6-difluoro-3-hydroxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C23H27F2N5O3 MolecularWeight: 459.488986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC(=NC=C3CN(C2=O)C4=C(C=CC(=C4F)O)F)NC5CCC(CC5)O

Isomeric SMILES

C1CCC(C1)N2C3=NC(=NC=C3CN(C2=O)C4=C(C=CC(=C4F)O)F)NC5CCC(CC5)O

InChI

InChI=1S/C23H27F2N5O3/c24-17-9-10-18(32)19(25)20(17)29-12-13-11-26-22(27-14-5-7-16(31)8-6-14)28-21(13)30(23(29)33)15-3-1-2-4-15/h9-11,14-16,31-32H,1-8,12H2,(H,26,27,28)