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

Systemtic Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-propyl-7H-purine-2,6-dione Openeye Name: 8-[(4-bromophenyl)methyl]-3-isobutyl-1-propyl-7H-purine-2,6-dione CAS Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-propyl-7H-purine-2,6-dione Traditional Name: 8-(4-bromobenzyl)-3-isobutyl-1-propyl-7H-purine-2,6-quinone Formula: C19H23BrN4O2 MolecularWeight: 419.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=C(C=C3)Br)N(C1=O)CC(C)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=C(C=C3)Br)N(C1=O)CC(C)C

InChI

InChI=1S/C19H23BrN4O2/c1-4-9-23-18(25)16-17(24(19(23)26)11-12(2)3)22-15(21-16)10-13-5-7-14(20)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,21,22)