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7-hexyl-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione

7-hexyl-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name:7-hexyl-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione
Openeye Name:8-(benzylamino)-7-hexyl-3-methyl-purine-2,6-dione
CAS Name:7-hexyl-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione
IUPAC Name:8-(benzylamino)-7-hexyl-3-methylpurine-2,6-dione
Traditional Name:8-(benzylamino)-7-hexyl-3-methyl-xanthine
Formula: C19H25N5O2
MolecularWeight: 355.4341
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

InChI=1S/C19H25N5O2/c1-3-4-5-9-12-24-15-16(23(2)19(26)22-17(15)25)21-18(24)20-13-14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,20,21)(H,22,25,26)


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