ethyl 5-[[3-(2-bromophenyl)-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]spiro[1,3-benzodioxole-2,4'-piperidine]-1'-carboxylate

Systemtic Name: ethyl 5-[[3-(2-bromophenyl)-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]spiro[1,3-benzodioxole-2,4'-piperidine]-1'-carboxylate Openeye Name: ethyl 5-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]spiro[1,3-benzodioxole-2,4'-piperidine]-1'-carboxylate CAS Name: 5-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-1'-spiro[1,3-benzodioxole-2,4'-piperidine]carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]spiro[1,3-benzodioxole-2,4'-piperidine]-1'-carboxylate Traditional Name: 5-[[3-(2-bromophenyl)-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]spiro[1,3-benzodioxole-2,4'-piperidine]-1'-carboxylic acid ethyl ester Formula: C27H27BrN6O5 MolecularWeight: 595.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27BrN6O5/c1-3-37-26(36)33-12-10-27(11-13-33)38-21-9-8-18(14-22(21)39-27)30-24-29-15-17-16-34(20-7-5-4-6-19(20)28)25(35)32(2)23(17)31-24/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,29,30,31)