4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine

Systemtic Name: 4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]benzofuro[3,2-d]pyrimidine CAS Name: 4-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-[4-(3-thenyl)piperazin-4-ium-1-yl]benzofuro[3,2-d]pyrimidine Formula: C19H19N4OS+ MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C19H18N4OS/c1-2-4-16-15(3-1)17-18(24-16)19(21-13-20-17)23-8-6-22(7-9-23)11-14-5-10-25-12-14/h1-5,10,12-13H,6-9,11H2/p+1