1-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethylideneamino]thiourea

Systemtic Name: 1-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethylideneamino]thiourea Openeye Name: [(E)-2-(5-nitro-2,4-dioxo-pyrimidin-1-yl)ethylideneamino]thiourea CAS Name: [(E)-2-(5-nitro-2,4-dioxo-1-pyrimidinyl)ethylideneamino]thiourea IUPAC Name: [(E)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea Traditional Name: [(E)-2-(2,4-diketo-5-nitro-pyrimidin-1-yl)ethylideneamino]thiourea Formula: C7H8N6O4S MolecularWeight: 272.24122

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC(=O)N1CC=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=O)NC(=O)N1C/C=N/NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C7H8N6O4S/c8-6(18)11-9-1-2-12-3-4(13(16)17)5(14)10-7(12)15/h1,3H,2H2,(H3,8,11,18)(H,10,14,15)/b9-1+