2-(2,4-dinitrophenyl)sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dinitrophenyl)thio]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-[(2,4-dinitrophenyl)thio]-5,6-dimethyl-1H-pyrimidin-4-one Formula: C12H10N4O5S MolecularWeight: 322.2966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NC(=NC1=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C12H10N4O5S/c1-6-7(2)13-12(14-11(6)17)22-10-4-3-8(15(18)19)5-9(10)16(20)21/h3-5H,1-2H3,(H,13,14,17)