1-(2-methoxyethyl)-7-[(4-nitrophenyl)methyl]-3-phenyl-purine-2,6-dione

Systemtic Name: 1-(2-methoxyethyl)-7-[(4-nitrophenyl)methyl]-3-phenyl-purine-2,6-dione Openeye Name: 1-(2-methoxyethyl)-7-[(4-nitrophenyl)methyl]-3-phenyl-purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-7-[(4-nitrophenyl)methyl]-3-phenylpurine-2,6-dione IUPAC Name: 1-(2-methoxyethyl)-7-[(4-nitrophenyl)methyl]-3-phenylpurine-2,6-dione Traditional Name: 1-(2-methoxyethyl)-7-(4-nitrobenzyl)-3-phenyl-xanthine Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N(C1=O)C4=CC=CC=C4

Isomeric SMILES

COCCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O5/c1-31-12-11-24-20(27)18-19(25(21(24)28)16-5-3-2-4-6-16)22-14-23(18)13-15-7-9-17(10-8-15)26(29)30/h2-10,14H,11-13H2,1H3