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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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