3-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-6-ethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H21ClN5O3S+ MolecularWeight: 434.91974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN5O3S/c1-2-14-10-15-18(29-14)21-11-24(19(15)26)12-22-5-7-23(8-6-22)16-4-3-13(20)9-17(16)25(27)28/h3-4,9-11H,2,5-8,12H2,1H3/p+1