2-tert-butyl-4,5-dimethyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-tert-butyl-4,5-dimethyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-tert-butyl-4,5-dimethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-tert-butyl-4,5-dimethyl-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-tert-butyl-4,5-dimethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-tert-butyl-N-[4-(3-ketopiperazino)benzyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C24H29N5O2S/c1-14-19-15(2)27-23(24(3,4)5)28-22(19)32-20(14)21(31)26-12-16-6-8-17(9-7-16)29-11-10-25-18(30)13-29/h6-9H,10-13H2,1-5H3,(H,25,30)(H,26,31)