2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=N2)[O-])SC=C3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=N2)[O-])SC=C3

InChI

InChI=1S/C13H16N4O2S/c1-9(18)17-5-3-16(4-6-17)8-11-14-10-2-7-20-12(10)13(19)15-11/h2,7H,3-6,8H2,1H3,(H,14,15,19)