1-(7-tert-butyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)urea

Systemtic Name: 1-(7-tert-butyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)urea Openeye Name: (7-tert-butyl-2-methylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)urea CAS Name: [7-tert-butyl-2-(methylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]urea IUPAC Name: (7-tert-butyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)urea Traditional Name: [7-tert-butyl-2-(methylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]urea Formula: C16H22N4OS2 MolecularWeight: 350.50208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)NC(=O)N)SC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)NC(=O)N)SC

InChI

InChI=1S/C16H22N4OS2/c1-16(2,3)8-5-6-9-10(7-8)23-13-11(9)12(18-14(17)21)19-15(20-13)22-4/h8H,5-7H2,1-4H3,(H3,17,18,19,20,21)