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

Systemtic Name: 4-(2,4-dinitrophenyl)sulfanyl-6-methyl-1H-pyrimidin-2-one Openeye Name: 4-(2,4-dinitrophenyl)sulfanyl-6-methyl-1H-pyrimidin-2-one CAS Name: 4-[(2,4-dinitrophenyl)thio]-6-methyl-1H-pyrimidin-2-one IUPAC Name: 4-(2,4-dinitrophenyl)sulfanyl-6-methyl-1H-pyrimidin-2-one Traditional Name: 4-[(2,4-dinitrophenyl)thio]-6-methyl-1H-pyrimidin-2-one Formula: C11H8N4O5S MolecularWeight: 308.27002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=O)N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O5S/c1-6-4-10(13-11(16)12-6)21-9-3-2-7(14(17)18)5-8(9)15(19)20/h2-5H,1H3,(H,12,13,16)