6-tert-butyl-2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[2-[4-[[5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[[2-[4-[[5-(3,5-dimethyl-4-isoxazolyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-tert-butyl-2-[2-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-tert-butyl-2-[[2-[4-[[5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C23H31N7O4S MolecularWeight: 501.60174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C2=NC(=NO2)CN3CCCN(CC3)C(=O)CSC4=NC(=O)C=C(N4)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)C2=NC(=NO2)CN3CCCN(CC3)C(=O)CSC4=NC(=O)C=C(N4)C(C)(C)C

InChI

InChI=1S/C23H31N7O4S/c1-14-20(15(2)33-27-14)21-25-17(28-34-21)12-29-7-6-8-30(10-9-29)19(32)13-35-22-24-16(23(3,4)5)11-18(31)26-22/h11H,6-10,12-13H2,1-5H3,(H,24,26,31)