2-(4-chloranylphenoxy)-1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-(7H-purin-6-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(7H-purin-6-yl)piperazino]ethanone Formula: C17H17ClN6O2 MolecularWeight: 372.80888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H17ClN6O2/c18-12-1-3-13(4-2-12)26-9-14(25)23-5-7-24(8-6-23)17-15-16(20-10-19-15)21-11-22-17/h1-4,10-11H,5-9H2,(H,19,20,21,22)