3-(4-methoxyphenyl)-7-piperazin-4-ium-1-yl-[1,2]thiazolo[4,5-d]pyrimidine

Systemtic Name: 3-(4-methoxyphenyl)-7-piperazin-4-ium-1-yl-[1,2]thiazolo[4,5-d]pyrimidine Openeye Name: 3-(4-methoxyphenyl)-7-piperazin-4-ium-1-yl-isothiazolo[4,5-d]pyrimidine CAS Name: 3-(4-methoxyphenyl)-7-(1-piperazin-4-iumyl)isothiazolo[4,5-d]pyrimidine IUPAC Name: 3-(4-methoxyphenyl)-7-piperazin-4-ium-1-yl-[1,2]thiazolo[4,5-d]pyrimidine Traditional Name: 3-(4-methoxyphenyl)-7-piperazin-4-ium-1-yl-isothiazolo[4,5-d]pyrimidine Formula: C16H18N5OS+ MolecularWeight: 328.41202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NSC3=C2N=CN=C3N4CC[NH2+]CC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NSC3=C2N=CN=C3N4CC[NH2+]CC4

InChI

InChI=1S/C16H17N5OS/c1-22-12-4-2-11(3-5-12)13-14-15(23-20-13)16(19-10-18-14)21-8-6-17-7-9-21/h2-5,10,17H,6-9H2,1H3/p+1