9-cyclopent-2-en-1-yl-N-[(3-iodanylphenyl)methyl]purin-2-amine

Systemtic Name: 9-cyclopent-2-en-1-yl-N-[(3-iodanylphenyl)methyl]purin-2-amine Openeye Name: 9-cyclopent-2-en-1-yl-N-[(3-iodophenyl)methyl]purin-2-amine CAS Name: 9-(1-cyclopent-2-enyl)-N-[(3-iodophenyl)methyl]-2-purinamine IUPAC Name: 9-cyclopent-2-en-1-yl-N-[(3-iodophenyl)methyl]purin-2-amine Traditional Name: (9-cyclopent-2-en-1-ylpurin-2-yl)-(3-iodobenzyl)amine Formula: C17H16IN5 MolecularWeight: 417.24691

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)N2C=NC3=CN=C(N=C32)NCC4=CC(=CC=C4)I

Isomeric SMILES

C1CC(C=C1)N2C=NC3=CN=C(N=C32)NCC4=CC(=CC=C4)I

InChI

InChI=1S/C17H16IN5/c18-13-5-3-4-12(8-13)9-19-17-20-10-15-16(22-17)23(11-21-15)14-6-1-2-7-14/h1,3-6,8,10-11,14H,2,7,9H2,(H,19,20,22)