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

Systemtic Name: 5-(2-butylsulfanylethyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one Openeye Name: 5-(2-butylsulfanylethyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-hexahydropyrimidin-4-one CAS Name: 5-[2-(butylthio)ethyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-methyl-1,3-diazinan-4-one IUPAC Name: 5-(2-butylsulfanylethyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one Traditional Name: 5-[2-(butylthio)ethyl]-2-[(4-methoxy-3-nitro-benzyl)thio]-6-methyl-hexahydropyrimidin-4-one Formula: C19H29N3O4S2 MolecularWeight: 427.58126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C

Isomeric SMILES

CCCCSCCC1C(NC(NC1=O)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C19H29N3O4S2/c1-4-5-9-27-10-8-15-13(2)20-19(21-18(15)23)28-12-14-6-7-17(26-3)16(11-14)22(24)25/h6-7,11,13,15,19-20H,4-5,8-10,12H2,1-3H3,(H,21,23)