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

Systemtic Name: 1-(2-methoxyethyl)-7-[(4-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione Openeye Name: 3-(4-isopropylphenyl)-1-(2-methoxyethyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-7-[(4-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione IUPAC Name: 1-(2-methoxyethyl)-7-[(4-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)purine-2,6-dione Traditional Name: 1-(2-methoxyethyl)-7-(4-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=C(C=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=C(C=C4)[N+](=O)[O-]

InChI

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