5-(3-nitrophenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 5-(3-nitrophenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 5-(3-nitrophenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 5-(3-nitrophenyl)-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(3-nitrophenyl)-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 5-(3-nitrophenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C16H16N5O2S+ MolecularWeight: 342.39554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O2S/c22-21(23)12-3-1-2-11(8-12)13-9-24-16-14(13)15(18-10-19-16)20-6-4-17-5-7-20/h1-3,8-10,17H,4-7H2/p+1