1-(4-methoxy-2-nitro-phenyl)-4-methyl-6-oxidanyl-1,3-diazinane-2-thione

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-4-methyl-6-oxidanyl-1,3-diazinane-2-thione Openeye Name: 6-hydroxy-1-(4-methoxy-2-nitro-phenyl)-4-methyl-hexahydropyrimidine-2-thione CAS Name: 6-hydroxy-1-(4-methoxy-2-nitrophenyl)-4-methyl-1,3-diazinane-2-thione IUPAC Name: 6-hydroxy-1-(4-methoxy-2-nitrophenyl)-4-methyl-1,3-diazinane-2-thione Traditional Name: 6-hydroxy-1-(4-methoxy-2-nitro-phenyl)-4-methyl-hexahydropyrimidine-2-thione Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C(=S)N1)C2=C(C=C(C=C2)OC)[N+](=O)[O-])O

Isomeric SMILES

CC1CC(N(C(=S)N1)C2=C(C=C(C=C2)OC)[N+](=O)[O-])O

InChI

InChI=1S/C12H15N3O4S/c1-7-5-11(16)14(12(20)13-7)9-4-3-8(19-2)6-10(9)15(17)18/h3-4,6-7,11,16H,5H2,1-2H3,(H,13,20)