4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C19H21N4OS+ MolecularWeight: 353.46124

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=C5C=CSC5=NC=N4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=C5C=CSC5=NC=N4

InChI

InChI=1S/C19H20N4OS/c1-2-17-15(3-9-24-17)11-14(1)12-22-5-7-23(8-6-22)18-16-4-10-25-19(16)21-13-20-18/h1-2,4,10-11,13H,3,5-9,12H2/p+1