3-[(4-bromanyl-2-methyl-phenyl)carbonyl-propan-2-yl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-bromanyl-2-methyl-phenyl)carbonyl-propan-2-yl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(4-bromo-2-methyl-benzoyl)-isopropyl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(4-bromo-2-methylphenyl)-oxomethyl]-propan-2-ylamino]-5-[4-(2-pyrazolo[1,5-a]pyrimidinyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-bromo-2-methylbenzoyl)-propan-2-ylamino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(4-bromo-2-methyl-benzoyl)-isopropyl-amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)-2-thenoic acid Formula: C28H23BrN4O3S MolecularWeight: 575.47622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=NN5C=CC=NC5=C4)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=NN5C=CC=NC5=C4)C(=O)O)C(C)C

InChI

InChI=1S/C28H23BrN4O3S/c1-16(2)33(27(34)21-10-9-20(29)13-17(21)3)23-15-24(37-26(23)28(35)36)19-7-5-18(6-8-19)22-14-25-30-11-4-12-32(25)31-22/h4-16H,1-3H3,(H,35,36)