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N-[2-(hexylamino)-9-methyl-purin-6-yl]-3-iodanyl-benzamide

N-[2-(hexylamino)-9-methyl-purin-6-yl]-3-iodanyl-benzamide

Systemtic Name:N-[2-(hexylamino)-9-methyl-purin-6-yl]-3-iodanyl-benzamide
Openeye Name:N-[2-(hexylamino)-9-methyl-purin-6-yl]-3-iodo-benzamide
CAS Name:N-[2-(hexylamino)-9-methyl-6-purinyl]-3-iodobenzamide
IUPAC Name:N-[2-(hexylamino)-9-methylpurin-6-yl]-3-iodobenzamide
Traditional Name:N-[2-(hexylamino)-9-methyl-purin-6-yl]-3-iodo-benzamide
Formula: C19H23IN6O
MolecularWeight: 478.32999
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(C(=N1)NC(=O)C3=CC(=CC=C3)I)N=CN2C


Isomeric SMILES

CCCCCCNC1=NC2=C(C(=N1)NC(=O)C3=CC(=CC=C3)I)N=CN2C


InChI

InChI=1S/C19H23IN6O/c1-3-4-5-6-10-21-19-24-16(15-17(25-19)26(2)12-22-15)23-18(27)13-8-7-9-14(20)11-13/h7-9,11-12H,3-6,10H2,1-2H3,(H2,21,23,24,25,27)


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