1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-(4-thieno[3,2-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone Formula: C18H16ClN5O3S2 MolecularWeight: 449.93434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSC3=NC=NC4=C3SC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSC3=NC=NC4=C3SC=C4

InChI

InChI=1S/C18H16ClN5O3S2/c19-12-1-2-14(15(9-12)24(26)27)22-4-6-23(7-5-22)16(25)10-29-18-17-13(3-8-28-17)20-11-21-18/h1-3,8-9,11H,4-7,10H2