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

Systemtic Name: 3-(phenylmethyl)-7-piperazin-4-ium-1-yl-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 3-benzyl-7-piperazin-4-ium-1-yl-triazolo[4,5-d]pyrimidine CAS Name: 3-(phenylmethyl)-7-(1-piperazin-4-iumyl)triazolo[4,5-d]pyrimidine IUPAC Name: 3-benzyl-7-piperazin-4-ium-1-yltriazolo[4,5-d]pyrimidine Traditional Name: 3-benzyl-7-piperazin-4-ium-1-yl-triazolo[4,5-d]pyrimidine Formula: C15H18N7+ MolecularWeight: 296.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC=NC3=C2N=NN3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC=NC3=C2N=NN3CC4=CC=CC=C4

InChI

InChI=1S/C15H17N7/c1-2-4-12(5-3-1)10-22-15-13(19-20-22)14(17-11-18-15)21-8-6-16-7-9-21/h1-5,11,16H,6-10H2/p+1