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

Systemtic Name: N-(4-ethoxyphenyl)-2-iodanyl-9-propan-2-yl-purin-6-amine Openeye Name: N-(4-ethoxyphenyl)-2-iodo-9-isopropyl-purin-6-amine CAS Name: N-(4-ethoxyphenyl)-2-iodo-9-propan-2-yl-6-purinamine IUPAC Name: N-(4-ethoxyphenyl)-2-iodo-9-propan-2-ylpurin-6-amine Traditional Name: (2-iodo-9-isopropyl-purin-6-yl)-p-phenetyl-amine Formula: C16H18IN5O MolecularWeight: 423.25149

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C(C)C)I

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C(C)C)I

InChI

InChI=1S/C16H18IN5O/c1-4-23-12-7-5-11(6-8-12)19-14-13-15(21-16(17)20-14)22(9-18-13)10(2)3/h5-10H,4H2,1-3H3,(H,19,20,21)