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

Systemtic Name: 1-(2-methoxyethyl)-7-[(3-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione Openeye Name: 3-(4-isopropylphenyl)-1-(2-methoxyethyl)-7-[(3-nitrophenyl)methyl]purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-7-[(3-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione IUPAC Name: 1-(2-methoxyethyl)-7-[(3-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione Traditional Name: 1-(2-methoxyethyl)-7-(3-nitrobenzyl)-3-p-cumenyl-xanthine Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCOC)N(C=N3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCOC)N(C=N3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O5/c1-16(2)18-7-9-19(10-8-18)28-22-21(23(30)27(24(28)31)11-12-34-3)26(15-25-22)14-17-5-4-6-20(13-17)29(32)33/h4-10,13,15-16H,11-12,14H2,1-3H3