2-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=CS4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=CS4)C)C(C)(C)C

InChI

InChI=1S/C23H30N4O3S2/c1-15-12-17(23(3,4)5)13-16(2)21(15)32(29,30)27-9-7-26(8-10-27)14-19-24-18-6-11-31-20(18)22(28)25-19/h6,11-13H,7-10,14H2,1-5H3,(H,24,25,28)