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

Systemtic Name: [6-chloranyl-5-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-pyrimidin-4-yl] carbamimidothioate Openeye Name: 2-[6-chloro-5-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-pyrimidin-4-yl]isothiourea CAS Name: carbamimidothioic acid [6-chloro-5-[(4-methoxyphenyl)methyl]-2-(methylthio)-4-pyrimidinyl] ester IUPAC Name: [6-chloro-5-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrimidin-4-yl] carbamimidothioate Traditional Name: 2-[6-chloro-2-(methylthio)-5-p-anisyl-pyrimidin-4-yl]isothiourea Formula: C14H15ClN4OS2 MolecularWeight: 354.8781

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4OS2/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)