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7-[(4-chlorophenyl)methyl]-8-(hexylamino)-3-methyl-purine-2,6-dione

7-[(4-chlorophenyl)methyl]-8-(hexylamino)-3-methyl-purine-2,6-dione

Systemtic Name:7-[(4-chlorophenyl)methyl]-8-(hexylamino)-3-methyl-purine-2,6-dione
Openeye Name:7-[(4-chlorophenyl)methyl]-8-(hexylamino)-3-methyl-purine-2,6-dione
CAS Name:7-[(4-chlorophenyl)methyl]-8-(hexylamino)-3-methylpurine-2,6-dione
IUPAC Name:7-[(4-chlorophenyl)methyl]-8-(hexylamino)-3-methylpurine-2,6-dione
Traditional Name:7-(4-chlorobenzyl)-8-(hexylamino)-3-methyl-xanthine
Formula: C19H24ClN5O2
MolecularWeight: 389.87916
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C


InChI

InChI=1S/C19H24ClN5O2/c1-3-4-5-6-11-21-18-22-16-15(17(26)23-19(27)24(16)2)25(18)12-13-7-9-14(20)10-8-13/h7-10H,3-6,11-12H2,1-2H3,(H,21,22)(H,23,26,27)


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