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3,7-dimethyl-1-oxidanyl-8-[9-[(phenylmethyl)amino]nonyl]purine-2,6-dione

3,7-dimethyl-1-oxidanyl-8-[9-[(phenylmethyl)amino]nonyl]purine-2,6-dione

Systemtic Name:3,7-dimethyl-1-oxidanyl-8-[9-[(phenylmethyl)amino]nonyl]purine-2,6-dione
Openeye Name:8-[9-(benzylamino)nonyl]-1-hydroxy-3,7-dimethyl-purine-2,6-dione
CAS Name:1-hydroxy-3,7-dimethyl-8-[9-[(phenylmethyl)amino]nonyl]purine-2,6-dione
IUPAC Name:8-[9-(benzylamino)nonyl]-1-hydroxy-3,7-dimethylpurine-2,6-dione
Traditional Name:8-[9-(benzylamino)nonyl]-1-hydroxy-3,7-dimethyl-xanthine
Formula: C23H33N5O3
MolecularWeight: 427.53982
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)O)CCCCCCCCCNCC3=CC=CC=C3


Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)O)CCCCCCCCCNCC3=CC=CC=C3


InChI

InChI=1S/C23H33N5O3/c1-26-19(25-21-20(26)22(29)28(31)23(30)27(21)2)15-11-6-4-3-5-7-12-16-24-17-18-13-9-8-10-14-18/h8-10,13-14,24,31H,3-7,11-12,15-17H2,1-2H3


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