6-ethyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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