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

Systemtic Name: 2-tert-butyl-4,5-dimethyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-tert-butyl-4,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-tert-butyl-4,5-dimethyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-tert-butyl-4,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-tert-butyl-N-[6-(3-ketopiperazino)-3-pyridyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H26N6O2S/c1-12-17-13(2)25-21(22(3,4)5)27-20(17)31-18(12)19(30)26-14-6-7-15(24-10-14)28-9-8-23-16(29)11-28/h6-7,10H,8-9,11H2,1-5H3,(H,23,29)(H,26,30)