methyl 4-[[4-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[6-(3-bromoanilino)-4-pyrimidinyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazino]methyl]benzoic acid methyl ester Formula: C23H24BrN5O2 MolecularWeight: 482.37296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H24BrN5O2/c1-31-23(30)18-7-5-17(6-8-18)15-28-9-11-29(12-10-28)22-14-21(25-16-26-22)27-20-4-2-3-19(24)13-20/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,26,27)