3-tert-butylsulfanyl-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-(3-methylsulfanylpropyl)propanamide

Systemtic Name: 3-tert-butylsulfanyl-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-(3-methylsulfanylpropyl)propanamide Openeye Name: 3-tert-butylsulfanyl-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-(3-methylsulfanylpropyl)propanamide CAS Name: 3-(tert-butylthio)-2-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]-N-[3-(methylthio)propyl]propanamide IUPAC Name: 3-tert-butylsulfanyl-2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]-N-(3-methylsulfanylpropyl)propanamide Traditional Name: 3-(tert-butylthio)-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-[3-(methylthio)propyl]propionamide Formula: C18H27ClN6OS2 MolecularWeight: 443.02958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(C(=O)NCCCSC)NC1=CC(=NC(=N1)N2C=CN=C2)Cl

Isomeric SMILES

CC(C)(C)SCC(C(=O)NCCCSC)NC1=CC(=NC(=N1)N2C=CN=C2)Cl

InChI

InChI=1S/C18H27ClN6OS2/c1-18(2,3)28-11-13(16(26)21-6-5-9-27-4)22-15-10-14(19)23-17(24-15)25-8-7-20-12-25/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,21,26)(H,22,23,24)