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7-butyl-8-[(4-nitrophenoxy)methyl]-3-(phenylmethyl)purine-2,6-dione

7-butyl-8-[(4-nitrophenoxy)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name:7-butyl-8-[(4-nitrophenoxy)methyl]-3-(phenylmethyl)purine-2,6-dione
Openeye Name:3-benzyl-7-butyl-8-[(4-nitrophenoxy)methyl]purine-2,6-dione
CAS Name:7-butyl-8-[(4-nitrophenoxy)methyl]-3-(phenylmethyl)purine-2,6-dione
IUPAC Name:3-benzyl-7-butyl-8-[(4-nitrophenoxy)methyl]purine-2,6-dione
Traditional Name:3-benzyl-7-butyl-8-[(4-nitrophenoxy)methyl]xanthine
Formula: C23H23N5O5
MolecularWeight: 449.45922
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-]


Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC4=CC=C(C=C4)[N+](=O)[O-]


InChI

InChI=1S/C23H23N5O5/c1-2-3-13-26-19(15-33-18-11-9-17(10-12-18)28(31)32)24-21-20(26)22(29)25-23(30)27(21)14-16-7-5-4-6-8-16/h4-12H,2-3,13-15H2,1H3,(H,25,29,30)


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