5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-2-methyl-6-oxidanyl-1,3-diazinan-4-one

Systemtic Name: 5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-2-methyl-6-oxidanyl-1,3-diazinan-4-one Openeye Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-2-methyl-hexahydropyrimidin-4-one CAS Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitrophenyl)methylthio]ethyl]-2-methyl-1,3-diazinan-4-one IUPAC Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethyl]-2-methyl-1,3-diazinan-4-one Traditional Name: 6-hydroxy-5-[2-[(4-methoxy-3-nitro-benzyl)thio]ethyl]-2-methyl-hexahydropyrimidin-4-one Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC(C(C(=O)N1)CCSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])O

Isomeric SMILES

CC1NC(C(C(=O)N1)CCSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])O

InChI

InChI=1S/C15H21N3O5S/c1-9-16-14(19)11(15(20)17-9)5-6-24-8-10-3-4-13(23-2)12(7-10)18(21)22/h3-4,7,9,11,14,16,19H,5-6,8H2,1-2H3,(H,17,20)