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

Systemtic Name: 2-azanyl-5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-methyl-1,3-diazinan-4-one Openeye Name: 2-amino-5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethyl]-6-methyl-hexahydropyrimidin-4-one CAS Name: 2-amino-5-[2-[(4-methoxy-3-nitrophenyl)methylthio]ethyl]-6-methyl-1,3-diazinan-4-one IUPAC Name: 2-amino-5-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]ethyl]-6-methyl-1,3-diazinan-4-one Traditional Name: 2-amino-5-[2-[(4-methoxy-3-nitro-benzyl)thio]ethyl]-6-methyl-hexahydropyrimidin-4-one Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)N)CCSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(=O)NC(N1)N)CCSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O4S/c1-9-11(14(20)18-15(16)17-9)5-6-24-8-10-3-4-13(23-2)12(7-10)19(21)22/h3-4,7,9,11,15,17H,5-6,8,16H2,1-2H3,(H,18,20)