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

Systemtic Name: 7-butyl-8-[(4-methoxy-2-nitro-phenoxy)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[(4-methoxy-2-nitro-phenoxy)methyl]purine-2,6-dione CAS Name: 7-butyl-8-[(4-methoxy-2-nitrophenoxy)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[(4-methoxy-2-nitrophenoxy)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[(4-methoxy-2-nitro-phenoxy)methyl]xanthine Formula: C24H25N5O6 MolecularWeight: 479.4852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O6/c1-3-4-12-27-20(15-35-19-11-10-17(34-2)13-18(19)29(32)33)25-22-21(27)23(30)26-24(31)28(22)14-16-8-6-5-7-9-16/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,26,30,31)