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

Systemtic Name: 7-(2-methoxyethyl)-1-[(3-nitrophenyl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-[(3-nitrophenyl)methyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[(3-nitrophenyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-[(3-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)-1-(3-nitrobenzyl)xanthine Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5/c1-32-11-10-24-15-23-20-19(24)21(28)26(14-17-8-5-9-18(12-17)27(30)31)22(29)25(20)13-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3