1-ethyl-3-naphthalen-1-yl-7-[(4-nitrophenyl)methyl]purine-2,6-dione

Systemtic Name: 1-ethyl-3-naphthalen-1-yl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 1-ethyl-3-(1-naphthyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 1-ethyl-3-(1-naphthalenyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 1-ethyl-3-naphthalen-1-yl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 1-ethyl-3-(1-naphthyl)-7-(4-nitrobenzyl)xanthine Formula: C24H19N5O4 MolecularWeight: 441.43876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N(C1=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N(C1=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H19N5O4/c1-2-27-23(30)21-22(25-15-26(21)14-16-10-12-18(13-11-16)29(32)33)28(24(27)31)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,2,14H2,1H3