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

Systemtic Name: 6-azanyl-2-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(2,4-dinitrophenyl)thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(2,4-dinitrophenyl)thio]-1H-pyrimidin-4-one Formula: C10H7N5O5S MolecularWeight: 309.25808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C10H7N5O5S/c11-8-4-9(16)13-10(12-8)21-7-2-1-5(14(17)18)3-6(7)15(19)20/h1-4H,(H3,11,12,13,16)