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

Systemtic Name: 5,6-dimethyl-2-[[4-(4-nitrophenyl)carbonylpiperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(4-nitrobenzoyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(4-nitrobenzoyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(4-nitrobenzoyl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H21N5O4S MolecularWeight: 427.47684

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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)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O4S/c1-12-13(2)30-19-17(12)18(26)21-16(22-19)11-23-7-9-24(10-8-23)20(27)14-3-5-15(6-4-14)25(28)29/h3-6H,7-11H2,1-2H3,(H,21,22,26)