7-tert-butyl-2-phenethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-tert-butyl-2-phenethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-tert-butyl-2-phenethylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: 7-tert-butyl-2-(phenethylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: 7-tert-butyl-2-phenethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-tert-butyl-2-(phenethylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amine Formula: C22H27N3S2 MolecularWeight: 397.59988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCCC4=CC=CC=C4

InChI

InChI=1S/C22H27N3S2/c1-22(2,3)15-9-10-16-17(13-15)27-20-18(16)19(23)24-21(25-20)26-12-11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H2,23,24,25)