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

Systemtic Name: 8-[(4-bromophenyl)methyl]-1-(hydroxymethyl)-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-bromophenyl)methyl]-1-(hydroxymethyl)-3-isobutyl-7H-purine-2,6-dione CAS Name: 8-[(4-bromophenyl)methyl]-1-(hydroxymethyl)-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(4-bromophenyl)methyl]-1-(hydroxymethyl)-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(4-bromobenzyl)-3-isobutyl-1-methylol-7H-purine-2,6-quinone Formula: C17H19BrN4O3 MolecularWeight: 407.26176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CO)NC(=N2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CO)NC(=N2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H19BrN4O3/c1-10(2)8-21-15-14(16(24)22(9-23)17(21)25)19-13(20-15)7-11-3-5-12(18)6-4-11/h3-6,10,23H,7-9H2,1-2H3,(H,19,20)