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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]-6-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=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3)C

InChI

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