N6-[(3-iodanylphenyl)methyl]-9-methyl-N2-propyl-purine-2,6-diamine

Systemtic Name: N6-[(3-iodanylphenyl)methyl]-9-methyl-N2-propyl-purine-2,6-diamine Openeye Name: N6-[(3-iodophenyl)methyl]-9-methyl-N2-propyl-purine-2,6-diamine CAS Name: N6-[(3-iodophenyl)methyl]-9-methyl-N2-propylpurine-2,6-diamine IUPAC Name: 6-N-[(3-iodophenyl)methyl]-9-methyl-2-N-propylpurine-2,6-diamine Traditional Name: (3-iodobenzyl)-[9-methyl-2-(propylamino)purin-6-yl]amine Formula: C16H19IN6 MolecularWeight: 422.26673

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)I)N=CN2C

Isomeric SMILES

CCCNC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)I)N=CN2C

InChI

InChI=1S/C16H19IN6/c1-3-7-18-16-21-14(13-15(22-16)23(2)10-20-13)19-9-11-5-4-6-12(17)8-11/h4-6,8,10H,3,7,9H2,1-2H3,(H2,18,19,21,22)