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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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