3-[4-(2-chloranyl-7H-purin-6-yl)piperazin-1-yl]benzamide

Systemtic Name: 3-[4-(2-chloranyl-7H-purin-6-yl)piperazin-1-yl]benzamide Openeye Name: 3-[4-(2-chloro-7H-purin-6-yl)piperazin-1-yl]benzamide CAS Name: 3-[4-(2-chloro-7H-purin-6-yl)-1-piperazinyl]benzamide IUPAC Name: 3-[4-(2-chloro-7H-purin-6-yl)piperazin-1-yl]benzamide Traditional Name: 3-[4-(2-chloro-7H-purin-6-yl)piperazino]benzamide Formula: C16H16ClN7O MolecularWeight: 357.79754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)N)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)N)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C16H16ClN7O/c17-16-21-14-12(19-9-20-14)15(22-16)24-6-4-23(5-7-24)11-3-1-2-10(8-11)13(18)25/h1-3,8-9H,4-7H2,(H2,18,25)(H,19,20,21,22)