5-bromanyl-N-[[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methyl]pyrimidin-2-amine

Systemtic Name: 5-bromanyl-N-[[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methyl]pyrimidin-2-amine Openeye Name: 5-bromo-N-[[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methyl]pyrimidin-2-amine CAS Name: 5-bromo-N-[[1-(2-phenylphenyl)sulfonyl-2-pyrrolidinyl]methyl]-2-pyrimidinamine IUPAC Name: 5-bromo-N-[[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methyl]pyrimidin-2-amine Traditional Name: (5-bromopyrimidin-2-yl)-[[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methyl]amine Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2C3=CC=CC=C3)CNC4=NC=C(C=N4)Br

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2C3=CC=CC=C3)CNC4=NC=C(C=N4)Br

InChI

InChI=1S/C21H21BrN4O2S/c22-17-13-23-21(24-14-17)25-15-18-9-6-12-26(18)29(27,28)20-11-5-4-10-19(20)16-7-2-1-3-8-16/h1-5,7-8,10-11,13-14,18H,6,9,12,15H2,(H,23,24,25)