5-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=CC=N2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=CC=N2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C16H18N6OS/c1-4-13(24-11-1)15-19-14(23-20-15)12-21-7-3-8-22(10-9-21)16-17-5-2-6-18-16/h1-2,4-6,11H,3,7-10,12H2