2-chloranyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine hydrochloride

Systemtic Name: 2-chloranyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine hydrochloride Openeye Name: 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine hydrochloride CAS Name: 2-chloro-6-[4-(2-pyrimidinyl)-1-piperazinyl]-7H-purine hydrochloride IUPAC Name: 2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine hydrochloride Traditional Name: 2-chloro-6-[4-(2-pyrimidyl)piperazino]-7H-purine hydrochloride Formula: C13H14Cl2N8 MolecularWeight: 353.20986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=C2NC=N3)Cl)C4=NC=CC=N4.Cl

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=C2NC=N3)Cl)C4=NC=CC=N4.Cl

InChI

InChI=1S/C13H13ClN8.ClH/c14-12-19-10-9(17-8-18-10)11(20-12)21-4-6-22(7-5-21)13-15-2-1-3-16-13;/h1-3,8H,4-7H2,(H,17,18,19,20);1H