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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-1-cyclopropyl-3-[3-ethoxy-2,6-bis(fluoranyl)-5-oxidanyl-phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-hydroxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-hydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-hydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-hydroxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C23H28F2N6O3 MolecularWeight: 474.503626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28F2N6O3/c1-2-34-17-9-16(32)18(24)20(19(17)25)30-11-12-10-27-22(28-14-5-3-13(26)4-6-14)29-21(12)31(23(30)33)15-7-8-15/h9-10,13-15,32H,2-8,11,26H2,1H3,(H,27,28,29)