[6-chloranyl-5-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-pyrimidin-4-yl] carbamimidothioate hydrochloride

Systemtic Name: [6-chloranyl-5-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-pyrimidin-4-yl] carbamimidothioate hydrochloride Openeye Name: 2-[6-chloro-5-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-pyrimidin-4-yl]isothiourea hydrochloride CAS Name: carbamimidothioic acid [6-chloro-5-[(4-methoxyphenyl)methyl]-2-(methylthio)-4-pyrimidinyl] ester hydrochloride IUPAC Name: [6-chloro-5-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrimidin-4-yl] carbamimidothioate hydrochloride Traditional Name: 2-[6-chloro-2-(methylthio)-5-p-anisyl-pyrimidin-4-yl]isothiourea hydrochloride Formula: C14H16Cl2N4OS2 MolecularWeight: 391.33904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)SC(=N)N.Cl

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)SC(=N)N.Cl

InChI

InChI=1S/C14H15ClN4OS2.ClH/c1-20-9-5-3-8(4-6-9)7-10-11(15)18-14(21-2)19-12(10)22-13(16)17;/h3-6H,7H2,1-2H3,(H3,16,17);1H