2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C25H26N4O3S2/c1-17-8-9-18(2)21(14-17)34(31,32)29-12-10-28(11-13-29)15-22-26-24(30)23-20(16-33-25(23)27-22)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,26,27,30)