2-[4-(2-chloranyl-7H-purin-6-yl)piperazin-1-yl]quinoline hydrochloride

Systemtic Name: 2-[4-(2-chloranyl-7H-purin-6-yl)piperazin-1-yl]quinoline hydrochloride Openeye Name: 2-[4-(2-chloro-7H-purin-6-yl)piperazin-1-yl]quinoline hydrochloride CAS Name: 2-[4-(2-chloro-7H-purin-6-yl)-1-piperazinyl]quinoline hydrochloride IUPAC Name: 2-[4-(2-chloro-7H-purin-6-yl)piperazin-1-yl]quinoline hydrochloride Traditional Name: 2-[4-(2-chloro-7H-purin-6-yl)piperazino]quinoline hydrochloride Formula: C18H17Cl2N7 MolecularWeight: 402.28048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C4=NC(=NC5=C4NC=N5)Cl.Cl

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C4=NC(=NC5=C4NC=N5)Cl.Cl

InChI

InChI=1S/C18H16ClN7.ClH/c19-18-23-16-15(20-11-21-16)17(24-18)26-9-7-25(8-10-26)14-6-5-12-3-1-2-4-13(12)22-14;/h1-6,11H,7-10H2,(H,20,21,23,24);1H