N-tert-butyl-2-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanamide

Systemtic Name: N-tert-butyl-2-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanamide Openeye Name: N-tert-butyl-2-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide CAS Name: N-tert-butyl-2-[[5,6-dimethyl-2-[(phenylthio)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]acetamide IUPAC Name: N-tert-butyl-2-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide Traditional Name: N-tert-butyl-2-[[5,6-dimethyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]acetamide Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS2/c1-13-14(2)28-20-18(13)19(22-11-17(26)25-21(3,4)5)23-16(24-20)12-27-15-9-7-6-8-10-15/h6-10H,11-12H2,1-5H3,(H,25,26)(H,22,23,24)