5,6-dimethyl-2-[[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-[3-(3-pyridyl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-[1-oxo-3-(3-pyridinyl)propyl]-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-[3-(3-pyridyl)propanoyl]piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=O)CCC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=O)CCC4=CN=CC=C4)C

InChI

InChI=1S/C21H25N5O2S/c1-14-15(2)29-21-19(14)20(28)23-17(24-21)13-25-8-10-26(11-9-25)18(27)6-5-16-4-3-7-22-12-16/h3-4,7,12H,5-6,8-11,13H2,1-2H3,(H,23,24,28)