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

Systemtic Name: 7-[(4-azanylcyclohexyl)amino]-1-cyclopentyl-3-[3-ethoxy-2,6-bis(fluoranyl)-5-methoxy-phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(3-ethoxy-2,6-difluoro-5-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(4-aminocyclohexyl)amino]-1-cyclopentyl-3-(3-ethoxy-2,6-difluoro-5-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H34F2N6O3 MolecularWeight: 516.583366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)OC)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)N)F

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)OC)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NC5CCC(CC5)N)F

InChI

InChI=1S/C26H34F2N6O3/c1-3-37-20-12-19(36-2)21(27)23(22(20)28)33-14-15-13-30-25(31-17-10-8-16(29)9-11-17)32-24(15)34(26(33)35)18-6-4-5-7-18/h12-13,16-18H,3-11,14,29H2,1-2H3,(H,30,31,32)