4-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzhydrylpiperazine-1,4-diium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-6-ethylthieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazine-1,4-diium-1-yl)-6-ethylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzhydrylpiperazine-1,4-diium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine Formula: C25H28N4S+2 MolecularWeight: 416.58162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4S/c1-2-21-17-22-24(26-18-27-25(22)30-21)29-15-13-28(14-16-29)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,23H,2,13-16H2,1H3/p+2