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

Systemtic Name: [5-chloranyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl carbamimidothioate Openeye Name: 2-[(5-chloro-2,4-dioxo-1H-pyrimidin-6-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (5-chloro-2,4-dioxo-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-chloro-2,4-dioxo-1H-pyrimidin-6-yl)methyl carbamimidothioate Traditional Name: 2-[(5-chloro-2,4-diketo-1H-pyrimidin-6-yl)methyl]isothiourea Formula: C6H7ClN4O2S MolecularWeight: 234.66338

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=O)NC(=O)N1)Cl)SC(=N)N

Isomeric SMILES

C(C1=C(C(=O)NC(=O)N1)Cl)SC(=N)N

InChI

InChI=1S/C6H7ClN4O2S/c7-3-2(1-14-5(8)9)10-6(13)11-4(3)12/h1H2,(H3,8,9)(H2,10,11,12,13)