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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-3-[2,6-bis(fluoranyl)-3-oxidanyl-phenyl]-1-cyclopentyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2,6-difluoro-3-hydroxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2,6-difluoro-3-hydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2,6-difluoro-3-hydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(2,6-difluoro-3-hydroxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C23H28F2N6O2 MolecularWeight: 458.504226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28F2N6O2/c24-17-9-10-18(32)19(25)20(17)30-12-13-11-27-22(28-15-7-5-14(26)6-8-15)29-21(13)31(23(30)33)16-3-1-2-4-16/h9-11,14-16,32H,1-8,12,26H2,(H,27,28,29)