ethyl 4-[2-[[3-(4-nitrophenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[3-(4-nitrophenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-keto-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H23N5O6S2 MolecularWeight: 505.56722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3

InChI

InChI=1S/C21H23N5O6S2/c1-2-32-21(29)24-10-8-23(9-11-24)17(27)13-34-20-22-16-7-12-33-18(16)19(28)25(20)14-3-5-15(6-4-14)26(30)31/h3-6H,2,7-13H2,1H3