4-chloranyl-N-(2-iodanyl-9-propan-2-yl-purin-6-yl)benzamide

Systemtic Name: 4-chloranyl-N-(2-iodanyl-9-propan-2-yl-purin-6-yl)benzamide Openeye Name: 4-chloro-N-(2-iodo-9-isopropyl-purin-6-yl)benzamide CAS Name: 4-chloro-N-(2-iodo-9-propan-2-yl-6-purinyl)benzamide IUPAC Name: 4-chloro-N-(2-iodo-9-propan-2-ylpurin-6-yl)benzamide Traditional Name: 4-chloro-N-(2-iodo-9-isopropyl-purin-6-yl)benzamide Formula: C15H13ClIN5O MolecularWeight: 441.65409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC(=O)C3=CC=C(C=C3)Cl)I

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC(=O)C3=CC=C(C=C3)Cl)I

InChI

InChI=1S/C15H13ClIN5O/c1-8(2)22-7-18-11-12(20-15(17)21-13(11)22)19-14(23)9-3-5-10(16)6-4-9/h3-8H,1-2H3,(H,19,20,21,23)