2-[[6-(3-imidazol-1-ylpropylamino)pyridin-2-yl]amino]-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[[6-(3-imidazol-1-ylpropylamino)pyridin-2-yl]amino]-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide Openeye Name: 2-[[6-(3-imidazol-1-ylpropylamino)-2-pyridyl]amino]-N-(4-phenoxyphenyl)thiazole-5-carboxamide CAS Name: 2-[[6-[3-(1-imidazolyl)propylamino]-2-pyridinyl]amino]-N-(4-phenoxyphenyl)-5-thiazolecarboxamide IUPAC Name: 2-[[6-(3-imidazol-1-ylpropylamino)pyridin-2-yl]amino]-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide Traditional Name: 2-[[6-(3-imidazol-1-ylpropylamino)-2-pyridyl]amino]-N-(4-phenoxyphenyl)thiazole-5-carboxamide Formula: C27H25N7O2S MolecularWeight: 511.5981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CN=C(S3)NC4=NC(=CC=C4)NCCCN5C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CN=C(S3)NC4=NC(=CC=C4)NCCCN5C=CN=C5

InChI

InChI=1S/C27H25N7O2S/c35-26(31-20-10-12-22(13-11-20)36-21-6-2-1-3-7-21)23-18-30-27(37-23)33-25-9-4-8-24(32-25)29-14-5-16-34-17-15-28-19-34/h1-4,6-13,15,17-19H,5,14,16H2,(H,31,35)(H2,29,30,32,33)