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

Systemtic Name: 1-methyl-3-[(E)-2-[3-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethyl]-5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethylideneamino]thiourea Openeye Name: 1-methyl-3-[(E)-2-[3-[(2E)-2-(methylcarbamothioylhydrazono)ethyl]-5-nitro-2,4-dioxo-pyrimidin-1-yl]ethylideneamino]thiourea CAS Name: 1-methyl-3-[(E)-2-[3-[(2E)-2-[[methylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]-5-nitro-2,4-dioxo-1-pyrimidinyl]ethylideneamino]thiourea IUPAC Name: 1-methyl-3-[(E)-2-[3-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethyl]-5-nitro-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea Traditional Name: 1-[(E)-2-[2,4-diketo-3-[(2E)-2-(methylthiocarbamoylhydrazono)ethyl]-5-nitro-pyrimidin-1-yl]ethylideneamino]-3-methyl-thiourea Formula: C12H17N9O4S2 MolecularWeight: 415.45128

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CCN1C=C(C(=O)N(C1=O)CC=NNC(=S)NC)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N/N=C/CN1C=C(C(=O)N(C1=O)C/C=N/NC(=S)NC)[N+](=O)[O-]

InChI

InChI=1S/C12H17N9O4S2/c1-13-10(26)17-15-3-5-19-7-8(21(24)25)9(22)20(12(19)23)6-4-16-18-11(27)14-2/h3-4,7H,5-6H2,1-2H3,(H2,13,17,26)(H2,14,18,27)/b15-3+,16-4+