3-iodanyl-N-[9-methyl-2-(propylamino)purin-6-yl]benzamide

Systemtic Name: 3-iodanyl-N-[9-methyl-2-(propylamino)purin-6-yl]benzamide Openeye Name: 3-iodo-N-[9-methyl-2-(propylamino)purin-6-yl]benzamide CAS Name: 3-iodo-N-[9-methyl-2-(propylamino)-6-purinyl]benzamide IUPAC Name: 3-iodo-N-[9-methyl-2-(propylamino)purin-6-yl]benzamide Traditional Name: 3-iodo-N-[9-methyl-2-(propylamino)purin-6-yl]benzamide Formula: C16H17IN6O MolecularWeight: 436.25025

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C(=N1)NC(=O)C3=CC(=CC=C3)I)N=CN2C

Isomeric SMILES

CCCNC1=NC2=C(C(=N1)NC(=O)C3=CC(=CC=C3)I)N=CN2C

InChI

InChI=1S/C16H17IN6O/c1-3-7-18-16-21-13(12-14(22-16)23(2)9-19-12)20-15(24)10-5-4-6-11(17)8-10/h4-6,8-9H,3,7H2,1-2H3,(H2,18,20,21,22,24)