3-(2-bromanyl-6-fluoranyl-phenyl)-7-[(1'-ethanoylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-bromanyl-6-fluoranyl-phenyl)-7-[(1'-ethanoylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-[(1'-acetylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)amino]-3-(2-bromo-6-fluoro-phenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-[(1'-acetyl-5-spiro[1,3-benzodioxole-2,4'-piperidine]yl)amino]-3-(2-bromo-6-fluorophenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-[(1'-acetylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)amino]-3-(2-bromo-6-fluorophenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-[(1'-acetylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)amino]-3-(2-bromo-6-fluoro-phenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H24BrFN6O4 MolecularWeight: 583.408963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC4=NC=C5CN(C(=O)N(C5=N4)C)C6=C(C=CC=C6Br)F

Isomeric SMILES

CC(=O)N1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC4=NC=C5CN(C(=O)N(C5=N4)C)C6=C(C=CC=C6Br)F

InChI

InChI=1S/C26H24BrFN6O4/c1-15(35)33-10-8-26(9-11-33)37-20-7-6-17(12-21(20)38-26)30-24-29-13-16-14-34(25(36)32(2)23(16)31-24)22-18(27)4-3-5-19(22)28/h3-7,12-13H,8-11,14H2,1-2H3,(H,29,30,31)