1-methyl-3-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethylideneamino]thiourea

Systemtic Name: 1-methyl-3-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethylideneamino]thiourea Openeye Name: 1-methyl-3-[(E)-2-(5-nitro-2,4-dioxo-pyrimidin-1-yl)ethylideneamino]thiourea CAS Name: 1-methyl-3-[(E)-2-(5-nitro-2,4-dioxo-1-pyrimidinyl)ethylideneamino]thiourea IUPAC Name: 1-methyl-3-[(E)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea Traditional Name: 1-[(E)-2-(2,4-diketo-5-nitro-pyrimidin-1-yl)ethylideneamino]-3-methyl-thiourea Formula: C8H10N6O4S MolecularWeight: 286.2678

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CCN1C=C(C(=O)NC1=O)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N/N=C/CN1C=C(C(=O)NC1=O)[N+](=O)[O-]

InChI

InChI=1S/C8H10N6O4S/c1-9-7(19)12-10-2-3-13-4-5(14(17)18)6(15)11-8(13)16/h2,4H,3H2,1H3,(H2,9,12,19)(H,11,15,16)/b10-2+