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

Systemtic Name: 2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-isobutyrylpiperazino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H24N4O2S/c1-14(2)21(27)25-10-8-24(9-11-25)12-17-22-19(26)18-16(13-28-20(18)23-17)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,22,23,26)