8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-pyridin-4-yl-7H-purine-2,6-dione

Systemtic Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-pyridin-4-yl-7H-purine-2,6-dione Openeye Name: 8-[(4-bromophenyl)methyl]-3-isobutyl-1-(4-pyridyl)-7H-purine-2,6-dione CAS Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-pyridin-4-yl-7H-purine-2,6-dione IUPAC Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-pyridin-4-yl-7H-purine-2,6-dione Traditional Name: 8-(4-bromobenzyl)-3-isobutyl-1-(4-pyridyl)-7H-purine-2,6-quinone Formula: C21H20BrN5O2 MolecularWeight: 454.3198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C3=CC=NC=C3)NC(=N2)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C3=CC=NC=C3)NC(=N2)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN5O2/c1-13(2)12-26-19-18(20(28)27(21(26)29)16-7-9-23-10-8-16)24-17(25-19)11-14-3-5-15(22)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,24,25)