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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-1-cyclopropyl-3-(5-ethoxy-2-fluoranyl-3-oxidanyl-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(5-ethoxy-2-fluoro-3-hydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(5-ethoxy-2-fluoro-3-hydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C23H29FN6O3 MolecularWeight: 456.513163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN6O3/c1-2-33-17-9-18(20(24)19(31)10-17)29-12-13-11-26-22(27-15-5-3-14(25)4-6-15)28-21(13)30(23(29)32)16-7-8-16/h9-11,14-16,31H,2-8,12,25H2,1H3,(H,26,27,28)