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

Systemtic Name: 3-(4-methoxyphenyl)-7-piperazin-4-ium-1-yl-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 3-(4-methoxyphenyl)-7-piperazin-4-ium-1-yl-triazolo[4,5-d]pyrimidine CAS Name: 3-(4-methoxyphenyl)-7-(1-piperazin-4-iumyl)triazolo[4,5-d]pyrimidine IUPAC Name: 3-(4-methoxyphenyl)-7-piperazin-4-ium-1-yltriazolo[4,5-d]pyrimidine Traditional Name: 3-(4-methoxyphenyl)-7-piperazin-4-ium-1-yl-triazolo[4,5-d]pyrimidine Formula: C15H18N7O+ MolecularWeight: 312.34972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)N4CC[NH2+]CC4)N=N2

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)N4CC[NH2+]CC4)N=N2

InChI

InChI=1S/C15H17N7O/c1-23-12-4-2-11(3-5-12)22-15-13(19-20-22)14(17-10-18-15)21-8-6-16-7-9-21/h2-5,10,16H,6-9H2,1H3/p+1