N-[(3-iodanylphenyl)methyl]-9-(1-phenylethyl)purin-6-amine

Systemtic Name: N-[(3-iodanylphenyl)methyl]-9-(1-phenylethyl)purin-6-amine Openeye Name: N-[(3-iodophenyl)methyl]-9-(1-phenylethyl)purin-6-amine CAS Name: N-[(3-iodophenyl)methyl]-9-(1-phenylethyl)-6-purinamine IUPAC Name: N-[(3-iodophenyl)methyl]-9-(1-phenylethyl)purin-6-amine Traditional Name: (3-iodobenzyl)-[9-(1-phenylethyl)purin-6-yl]amine Formula: C20H18IN5 MolecularWeight: 455.29489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I

InChI

InChI=1S/C20H18IN5/c1-14(16-7-3-2-4-8-16)26-13-25-18-19(23-12-24-20(18)26)22-11-15-6-5-9-17(21)10-15/h2-10,12-14H,11H2,1H3,(H,22,23,24)