2-[(3-ethyl-4-methyl-phenyl)amino]-7-(5-iodanylpentyl)-3H-purin-6-one

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)amino]-7-(5-iodanylpentyl)-3H-purin-6-one Openeye Name: 2-(3-ethyl-4-methyl-anilino)-7-(5-iodopentyl)-3H-purin-6-one CAS Name: 2-(3-ethyl-4-methylanilino)-7-(5-iodopentyl)-3H-purin-6-one IUPAC Name: 2-(3-ethyl-4-methylanilino)-7-(5-iodopentyl)-3H-purin-6-one Traditional Name: 2-(3-ethyl-4-methyl-anilino)-7-(5-iodopentyl)-3H-purin-6-one Formula: C19H24IN5O MolecularWeight: 465.33123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCCI)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCCI)C

InChI

InChI=1S/C19H24IN5O/c1-3-14-11-15(8-7-13(14)2)22-19-23-17-16(18(26)24-19)25(12-21-17)10-6-4-5-9-20/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,22,23,24,26)