6,6-dimethyl-3-(2-methyl-5-nitro-phenyl)-1H-pyrimidine-2-thione

Systemtic Name: 6,6-dimethyl-3-(2-methyl-5-nitro-phenyl)-1H-pyrimidine-2-thione Openeye Name: 6,6-dimethyl-3-(2-methyl-5-nitro-phenyl)-1H-pyrimidine-2-thione CAS Name: 6,6-dimethyl-3-(2-methyl-5-nitrophenyl)-1H-pyrimidine-2-thione IUPAC Name: 6,6-dimethyl-3-(2-methyl-5-nitrophenyl)-1H-pyrimidine-2-thione Traditional Name: 6,6-dimethyl-3-(2-methyl-5-nitro-phenyl)-1H-pyrimidine-2-thione Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C=CC(NC2=S)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C=CC(NC2=S)(C)C

InChI

InChI=1S/C13H15N3O2S/c1-9-4-5-10(16(17)18)8-11(9)15-7-6-13(2,3)14-12(15)19/h4-8H,1-3H3,(H,14,19)