2-[[4-[[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[[4-(3-chloro-4-fluoro-anilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexyl]-methyl-amino]acetic acid CAS Name: 2-[[4-[[4-(3-chloro-4-fluoroanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]cyclohexyl]-methylamino]acetic acid IUPAC Name: 2-[[4-[[4-(3-chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexyl]-methylamino]acetic acid Traditional Name: 2-[[4-[[4-(3-chloro-4-fluoro-anilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexyl]-methyl-amino]acetic acid Formula: C21H23ClFN7O2 MolecularWeight: 459.904423

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CN(CC(=O)O)C1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H23ClFN7O2/c1-30(10-18(31)32)14-5-2-12(3-6-14)28-21-24-9-17-19(29-21)20(26-11-25-17)27-13-4-7-16(23)15(22)8-13/h4,7-9,11-12,14H,2-3,5-6,10H2,1H3,(H,31,32)(H,24,28,29)(H,25,26,27)