2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-[[(4-bromophenyl)thio]methyl]-5,6-dimethyl-N-(2-methylsulfonylethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-[[(4-bromophenyl)thio]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]-(2-mesylethyl)amine Formula: C18H20BrN3O2S3 MolecularWeight: 486.4693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCS(=O)(=O)C)CSC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCS(=O)(=O)C)CSC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H20BrN3O2S3/c1-11-12(2)26-18-16(11)17(20-8-9-27(3,23)24)21-15(22-18)10-25-14-6-4-13(19)5-7-14/h4-7H,8-10H2,1-3H3,(H,20,21,22)