4-[[4-(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-tert-butyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazino]methyl]benzonitrile Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H29N5OS/c1-16-20-17(2)27-24(25(3,4)5)28-22(20)32-21(16)23(31)30-12-10-29(11-13-30)15-19-8-6-18(14-26)7-9-19/h6-9H,10-13,15H2,1-5H3