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

Systemtic Name: 3-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])SC=C2

InChI

InChI=1S/C19H19N5O4S2/c1-21-18(26)15-6-11-29-17(15)20-19(21)30-12-16(25)23-9-7-22(8-10-23)13-2-4-14(5-3-13)24(27)28/h2-6,11H,7-10,12H2,1H3