2-[3-[(2-chloranyl-7H-purin-6-yl)amino]propanoylamino]benzamide

Systemtic Name: 2-[3-[(2-chloranyl-7H-purin-6-yl)amino]propanoylamino]benzamide Openeye Name: 2-[3-[(2-chloro-7H-purin-6-yl)amino]propanoylamino]benzamide CAS Name: 2-[[3-[(2-chloro-7H-purin-6-yl)amino]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[3-[(2-chloro-7H-purin-6-yl)amino]propanoylamino]benzamide Traditional Name: 2-[3-[(2-chloro-7H-purin-6-yl)amino]propanoylamino]benzamide Formula: C15H14ClN7O2 MolecularWeight: 359.77036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N)NC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N)NC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H14ClN7O2/c16-15-22-13(11-14(23-15)20-7-19-11)18-6-5-10(24)21-9-4-2-1-3-8(9)12(17)25/h1-4,7H,5-6H2,(H2,17,25)(H,21,24)(H2,18,19,20,22,23)