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

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-p-anisylpiperazin-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:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4OS/c1-29-20-9-7-18(8-10-20)15-27-11-13-28(14-12-27)23-22-21(19-5-3-2-4-6-19)16-30-24(22)26-17-25-23/h2-10,16-17H,11-15H2,1H3/p+1