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

Systemtic Name: 3-(4-ethoxyphenyl)-7-piperazin-4-ium-1-yl-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 3-(4-ethoxyphenyl)-7-piperazin-4-ium-1-yl-triazolo[4,5-d]pyrimidine CAS Name: 3-(4-ethoxyphenyl)-7-(1-piperazin-4-iumyl)triazolo[4,5-d]pyrimidine IUPAC Name: 3-(4-ethoxyphenyl)-7-piperazin-4-ium-1-yltriazolo[4,5-d]pyrimidine Traditional Name: 7-piperazin-4-ium-1-yl-3-p-phenetyl-triazolo[4,5-d]pyrimidine Formula: C16H20N7O+ MolecularWeight: 326.3763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=C(C(=NC=N3)N4CC[NH2+]CC4)N=N2

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=C(C(=NC=N3)N4CC[NH2+]CC4)N=N2

InChI

InChI=1S/C16H19N7O/c1-2-24-13-5-3-12(4-6-13)23-16-14(20-21-23)15(18-11-19-16)22-9-7-17-8-10-22/h3-6,11,17H,2,7-10H2,1H3/p+1