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

Systemtic Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4OS/c1-3-7-19(8-4-1)21-17-30-24-22(21)23(25-18-26-24)28-13-11-27(12-14-28)15-16-29-20-9-5-2-6-10-20/h1-10,17-18H,11-16H2/p+1