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

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-5-[2-(2-methylpropylsulfanyl)ethyl]-1,3-diazinan-4-one Openeye Name: 5-(2-isobutylsulfanylethyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-6-methyl-5-[2-(2-methylpropylthio)ethyl]-1,3-diazinan-4-one IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-methyl-5-[2-(2-methylpropylsulfanyl)ethyl]-1,3-diazinan-4-one Traditional Name: 5-[2-(isobutylthio)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:

CC1C(C(=O)NC(N1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])CCSCC(C)C

Isomeric SMILES

CC1C(C(=O)NC(N1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-])CCSCC(C)C

InChI

InChI=1S/C19H29N3O4S2/c1-12(2)10-27-8-7-15-13(3)20-19(21-18(15)23)28-11-14-5-6-17(26-4)16(9-14)22(24)25/h5-6,9,12-13,15,19-20H,7-8,10-11H2,1-4H3,(H,21,23)