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

Systemtic Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])SC=C2

InChI

InChI=1S/C21H21N5O4S2/c1-2-8-25-20(28)17-7-13-31-19(17)22-21(25)32-14-18(27)24-11-9-23(10-12-24)15-3-5-16(6-4-15)26(29)30/h2-7,13H,1,8-12,14H2