3-[[4-[6-[3-(2-phenylethanoylamino)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-[6-[3-(2-phenylethanoylamino)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-[6-[3-[(2-phenylacetyl)amino]phenyl]imidazo[2,1-b]thiazol-5-yl]pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[4-[6-[3-[(1-oxo-2-phenylethyl)amino]phenyl]-5-imidazo[2,1-b]thiazolyl]-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[4-[6-[3-[(2-phenylacetyl)amino]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-[6-[3-[(2-phenylacetyl)amino]phenyl]imidazo[2,1-b]thiazol-5-yl]pyrimidin-2-yl]amino]benzoic acid Formula: C30H22N6O3S MolecularWeight: 546.59908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=C(N4C=CSC4=N3)C5=NC(=NC=C5)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=C(N4C=CSC4=N3)C5=NC(=NC=C5)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C30H22N6O3S/c37-25(16-19-6-2-1-3-7-19)32-22-10-4-8-20(17-22)26-27(36-14-15-40-30(36)35-26)24-12-13-31-29(34-24)33-23-11-5-9-21(18-23)28(38)39/h1-15,17-18H,16H2,(H,32,37)(H,38,39)(H,31,33,34)