4-[2-[(2-bromanyl-4-propan-2-yl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-[(2-bromanyl-4-propan-2-yl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl]piperazine-1-carbaldehyde Openeye Name: 4-[2-(2-bromo-N-ethyl-4-isopropyl-anilino)-6-methyl-pyrimidin-4-yl]piperazine-1-carbaldehyde CAS Name: 4-[2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde Traditional Name: 4-[2-(2-bromo-N-ethyl-4-isopropyl-anilino)-6-methyl-pyrimidin-4-yl]piperazine-1-carbaldehyde Formula: C21H28BrN5O MolecularWeight: 446.38392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)N3CCN(CC3)C=O)C

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)N3CCN(CC3)C=O)C

InChI

InChI=1S/C21H28BrN5O/c1-5-27(19-7-6-17(15(2)3)13-18(19)22)21-23-16(4)12-20(24-21)26-10-8-25(14-28)9-11-26/h6-7,12-15H,5,8-11H2,1-4H3