(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(pyrimidin-2-ylamino)benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(pyrimidin-2-ylamino)benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(pyrimidin-2-ylamino)benzoate CAS Name: 3-(2-pyrimidinylamino)benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(pyrimidin-2-ylamino)benzoate Traditional Name: 3-(2-pyrimidylamino)benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C18H13N5O3S/c24-17(25-10-15-22-16(23-26-15)13-5-8-27-11-13)12-3-1-4-14(9-12)21-18-19-6-2-7-20-18/h1-9,11H,10H2,(H,19,20,21)