methyl N'-[[5-chloranyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-[[5-chloranyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-N-cyano-carbamimidothioate Openeye Name: 3-[(5-chloro-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1-cyano-2-methyl-isothiourea CAS Name: N'-[(5-chloro-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(5-chloro-2,4-dioxo-1H-pyrimidin-6-yl)methyl]-N-cyanocarbamimidothioate Traditional Name: 3-[(5-chloro-2,4-diketo-1H-pyrimidin-6-yl)methyl]-1-cyano-2-methyl-isothiourea Formula: C8H8ClN5O2S MolecularWeight: 273.69942

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=C(C(=O)NC(=O)N1)Cl)NC#N

Isomeric SMILES

CSC(=NCC1=C(C(=O)NC(=O)N1)Cl)NC#N

InChI

InChI=1S/C8H8ClN5O2S/c1-17-8(12-3-10)11-2-4-5(9)6(15)14-7(16)13-4/h2H2,1H3,(H,11,12)(H2,13,14,15,16)