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

Systemtic Name: 2-azanyl-5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-oxidanyl-1,3-diazinan-4-one Openeye Name: 2-amino-6-hydroxy-5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]hexahydropyrimidin-4-one CAS Name: 2-amino-6-hydroxy-5-[2-[(4-methoxy-3-nitrophenyl)methylthio]ethyl]-1,3-diazinan-4-one IUPAC Name: 2-amino-6-hydroxy-5-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethyl]-1,3-diazinan-4-one Traditional Name: 2-amino-6-hydroxy-5-[2-[(4-methoxy-3-nitro-benzyl)thio]ethyl]hexahydropyrimidin-4-one Formula: C14H20N4O5S MolecularWeight: 356.3974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCCC2C(NC(NC2=O)N)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCCC2C(NC(NC2=O)N)O)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O5S/c1-23-11-3-2-8(6-10(11)18(21)22)7-24-5-4-9-12(19)16-14(15)17-13(9)20/h2-3,6,9,12,14,16,19H,4-5,7,15H2,1H3,(H,17,20)