[2-[3-(2-carbamimidoylsulfanylethanoyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-oxidanylidene-ethyl] carbamimidothioate

Systemtic Name: [2-[3-(2-carbamimidoylsulfanylethanoyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-oxidanylidene-ethyl] carbamimidothioate Openeye Name: 2-[2-[3-(2-carbamimidoylsulfanylacetyl)-2,4-dioxo-pyrimidin-1-yl]-2-oxo-ethyl]isothiourea CAS Name: carbamimidothioic acid [2-[3-[2-(carbamimidoylthio)-1-oxoethyl]-2,4-dioxo-1-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-[3-(2-carbamimidoylsulfanylacetyl)-2,4-dioxopyrimidin-1-yl]-2-oxoethyl] carbamimidothioate Traditional Name: 2-[2-[3-[2-(amidinothio)acetyl]-2,4-diketo-pyrimidin-1-yl]-2-keto-ethyl]isothiourea Formula: C10H12N6O4S2 MolecularWeight: 344.37008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N(C1=O)C(=O)CSC(=N)N)C(=O)CSC(=N)N

Isomeric SMILES

C1=CN(C(=O)N(C1=O)C(=O)CSC(=N)N)C(=O)CSC(=N)N

InChI

InChI=1S/C10H12N6O4S2/c11-8(12)21-3-6(18)15-2-1-5(17)16(10(15)20)7(19)4-22-9(13)14/h1-2H,3-4H2,(H3,11,12)(H3,13,14)