5,6-dimethyl-2-[[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(4-pyrrol-1-ylbenzoyl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=C5)C

InChI

InChI=1S/C24H25N5O2S/c1-16-17(2)32-23-21(16)22(30)25-20(26-23)15-27-11-13-29(14-12-27)24(31)18-5-7-19(8-6-18)28-9-3-4-10-28/h3-10H,11-15H2,1-2H3,(H,25,26,30)