4-[3-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-7-(methylamino)-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]-1-ethyl-cyclohexane-1-carboxylate

Systemtic Name: 4-[3-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-7-(methylamino)-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]-1-ethyl-cyclohexane-1-carboxylate Openeye Name: 4-[3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-(methylamino)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-1-ethyl-cyclohexanecarboxylate CAS Name: 4-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(methylamino)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-1-ethyl-1-cyclohexanecarboxylate IUPAC Name: 4-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(methylamino)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-1-ethylcyclohexane-1-carboxylate Traditional Name: 4-[3-(2,6-difluoro-3,5-dimethoxy-phenyl)-2-keto-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-1-yl]-1-ethyl-cyclohexanecarboxylate Formula: C24H28F2N5O5- MolecularWeight: 504.506426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)N2C3=NC(=NC=C3CN(C2=O)C4=C(C(=CC(=C4F)OC)OC)F)NC)C(=O)[O-]

Isomeric SMILES

CCC1(CCC(CC1)N2C3=NC(=NC=C3CN(C2=O)C4=C(C(=CC(=C4F)OC)OC)F)NC)C(=O)[O-]

InChI

InChI=1S/C24H29F2N5O5/c1-5-24(21(32)33)8-6-14(7-9-24)31-20-13(11-28-22(27-2)29-20)12-30(23(31)34)19-17(25)15(35-3)10-16(36-4)18(19)26/h10-11,14H,5-9,12H2,1-4H3,(H,32,33)(H,27,28,29)/p-1