3-[2-[[(5-chloranyl-2,6-dimethyl-pyrimidin-4-yl)amino]methyl]-3-methyl-pyridin-4-yl]sulfanylpropyl carbamimidothioate

Systemtic Name: 3-[2-[[(5-chloranyl-2,6-dimethyl-pyrimidin-4-yl)amino]methyl]-3-methyl-pyridin-4-yl]sulfanylpropyl carbamimidothioate Openeye Name: 2-[3-[[2-[[(5-chloro-2,6-dimethyl-pyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridyl]sulfanyl]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[[2-[[(5-chloro-2,6-dimethyl-4-pyrimidinyl)amino]methyl]-3-methyl-4-pyridinyl]thio]propyl ester IUPAC Name: 3-[2-[[(5-chloro-2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-methylpyridin-4-yl]sulfanylpropyl carbamimidothioate Traditional Name: 2-[3-[[2-[[(5-chloro-2,6-dimethyl-pyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridyl]thio]propyl]isothiourea Formula: C17H23ClN6S2 MolecularWeight: 410.98772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=NC(=NC(=C2Cl)C)C)SCCCSC(=N)N

Isomeric SMILES

CC1=C(C=CN=C1CNC2=NC(=NC(=C2Cl)C)C)SCCCSC(=N)N

InChI

InChI=1S/C17H23ClN6S2/c1-10-13(9-22-16-15(18)11(2)23-12(3)24-16)21-6-5-14(10)25-7-4-8-26-17(19)20/h5-6H,4,7-9H2,1-3H3,(H3,19,20)(H,22,23,24)