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

Systemtic Name: 1-cyclopropyl-3-(5-ethoxy-2-fluoranyl-3-methoxy-phenyl)-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopropyl-3-(5-ethoxy-2-fluoro-3-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopropyl-3-(5-ethoxy-2-fluoro-3-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopropyl-3-(5-ethoxy-2-fluoro-3-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopropyl-3-(5-ethoxy-2-fluoro-3-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C24H30FN5O4 MolecularWeight: 471.524503

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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)O)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H30FN5O4/c1-3-34-18-10-19(21(25)20(11-18)33-2)29-13-14-12-26-23(27-15-4-8-17(31)9-5-15)28-22(14)30(24(29)32)16-6-7-16/h10-12,15-17,31H,3-9,13H2,1-2H3,(H,26,27,28)