1-(4-nitrophenyl)-3-(5-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-(5-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)thiourea Openeye Name: 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(5-hydroxy-6-keto-1H-pyrimidin-2-yl)-3-(4-nitrophenyl)thiourea Formula: C11H9N5O4S MolecularWeight: 307.28526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=NC=C(C(=O)N2)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=NC=C(C(=O)N2)O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O4S/c17-8-5-12-10(14-9(8)18)15-11(21)13-6-1-3-7(4-2-6)16(19)20/h1-5,17H,(H3,12,13,14,15,18,21)