5-phenyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 5-phenyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 5-phenyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 5-phenyl-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-phenyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 5-phenyl-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C16H17N4S+ MolecularWeight: 297.39798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4S/c1-2-4-12(5-3-1)13-10-21-16-14(13)15(18-11-19-16)20-8-6-17-7-9-20/h1-5,10-11,17H,6-9H2/p+1