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

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dinitrophenyl)thio]-5-ethyl-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-5-ethyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(2,4-dinitrophenyl)thio]-5-ethyl-6-methyl-1H-pyrimidin-4-one Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C13H12N4O5S/c1-3-9-7(2)14-13(15-12(9)18)23-11-5-4-8(16(19)20)6-10(11)17(21)22/h4-6H,3H2,1-2H3,(H,14,15,18)