6-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 6-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 6-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine Formula: C23H23N4S+ MolecularWeight: 387.52052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4S/c1-3-7-18(8-4-1)16-26-11-13-27(14-12-26)22-20-15-21(19-9-5-2-6-10-19)28-23(20)25-17-24-22/h1-10,15,17H,11-14,16H2/p+1