1-(2-azanyl-5-nitro-phenyl)-4,4,6-trimethyl-6-oxidanyl-1,3-diazinane-2-thione

Systemtic Name: 1-(2-azanyl-5-nitro-phenyl)-4,4,6-trimethyl-6-oxidanyl-1,3-diazinane-2-thione Openeye Name: 1-(2-amino-5-nitro-phenyl)-6-hydroxy-4,4,6-trimethyl-hexahydropyrimidine-2-thione CAS Name: 1-(2-amino-5-nitrophenyl)-6-hydroxy-4,4,6-trimethyl-1,3-diazinane-2-thione IUPAC Name: 1-(2-amino-5-nitrophenyl)-6-hydroxy-4,4,6-trimethyl-1,3-diazinane-2-thione Traditional Name: 1-(2-amino-5-nitro-phenyl)-6-hydroxy-4,4,6-trimethyl-hexahydropyrimidine-2-thione Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N(C(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])N)(C)O)C

Isomeric SMILES

CC1(CC(N(C(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])N)(C)O)C

InChI

InChI=1S/C13H18N4O3S/c1-12(2)7-13(3,18)16(11(21)15-12)10-6-8(17(19)20)4-5-9(10)14/h4-6,18H,7,14H2,1-3H3,(H,15,21)