1-cyclopentyl-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]purine-2,6-dione

Systemtic Name: 1-cyclopentyl-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 1-cyclopentyl-7-[(3-nitrophenyl)methyl]-3-(o-tolyl)purine-2,6-dione CAS Name: 1-cyclopentyl-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 1-cyclopentyl-3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 1-cyclopentyl-7-(3-nitrobenzyl)-3-(o-tolyl)xanthine Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)C4CCCC4)N(C=N3)CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)C4CCCC4)N(C=N3)CC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O4/c1-16-7-2-5-12-20(16)28-22-21(23(30)27(24(28)31)18-9-3-4-10-18)26(15-25-22)14-17-8-6-11-19(13-17)29(32)33/h2,5-8,11-13,15,18H,3-4,9-10,14H2,1H3