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

Systemtic Name: 1-cyclopentyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(5-ethoxy-2-fluoranyl-3-oxidanyl-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(5-ethoxy-2-fluoro-3-hydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(5-ethoxy-2-fluoro-3-hydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C27H37FN6O3 MolecularWeight: 512.619483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37FN6O3/c1-4-37-21-13-22(24(28)23(35)14-21)33-16-17-15-29-26(30-18-9-11-19(12-10-18)32(2)3)31-25(17)34(27(33)36)20-7-5-6-8-20/h13-15,18-20,35H,4-12,16H2,1-3H3,(H,29,30,31)