2-[6-[(2-iodanylphenyl)methylamino]purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide

Systemtic Name: 2-[6-[(2-iodanylphenyl)methylamino]purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide Openeye Name: 2-[6-[(2-iodophenyl)methylamino]purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide CAS Name: 2-[6-[(2-iodophenyl)methylamino]-9-purinyl]-N-methyl-1-cyclopent-3-enecarboxamide IUPAC Name: 2-[6-[(2-iodophenyl)methylamino]purin-9-yl]-N-methylcyclopent-3-ene-1-carboxamide Traditional Name: 2-[6-[(2-iodobenzyl)amino]purin-9-yl]-N-methyl-cyclopent-3-ene-1-carboxamide Formula: C19H19IN6O MolecularWeight: 474.29823

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC=CC1N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4I

Isomeric SMILES

CNC(=O)C1CC=CC1N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4I

InChI

InChI=1S/C19H19IN6O/c1-21-19(27)13-6-4-8-15(13)26-11-25-16-17(23-10-24-18(16)26)22-9-12-5-2-3-7-14(12)20/h2-5,7-8,10-11,13,15H,6,9H2,1H3,(H,21,27)(H,22,23,24)