N-[(4-ethoxyphenyl)methyl]-2-iodanyl-9-propan-2-yl-purin-6-amine

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-2-iodanyl-9-propan-2-yl-purin-6-amine Openeye Name: N-[(4-ethoxyphenyl)methyl]-2-iodo-9-isopropyl-purin-6-amine CAS Name: N-[(4-ethoxyphenyl)methyl]-2-iodo-9-propan-2-yl-6-purinamine IUPAC Name: N-[(4-ethoxyphenyl)methyl]-2-iodo-9-propan-2-ylpurin-6-amine Traditional Name: (4-ethoxybenzyl)-(2-iodo-9-isopropyl-purin-6-yl)amine Formula: C17H20IN5O MolecularWeight: 437.27807

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C(C)C)I

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C(C)C)I

InChI

InChI=1S/C17H20IN5O/c1-4-24-13-7-5-12(6-8-13)9-19-15-14-16(22-17(18)21-15)23(10-20-14)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,19,21,22)