7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylpropylamino)-4,5-dihydropurine-2,6-dione

Systemtic Name: 7-[(2-bromophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylpropylamino)-4,5-dihydropurine-2,6-dione Openeye Name: 7-[(2-bromophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione CAS Name: 7-[(2-bromophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione IUPAC Name: 7-[(2-bromophenyl)methyl]-8-(2-hydroxypropylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-dione Traditional Name: 7-(2-bromobenzyl)-8-(2-hydroxypropylamino)-1,3-dimethyl-4,5-dihydropurine-2,6-quinone Formula: C17H22BrN5O3 MolecularWeight: 424.29228

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2C(N1CC3=CC=CC=C3Br)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(CNC1=NC2C(N1CC3=CC=CC=C3Br)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C17H22BrN5O3/c1-10(24)8-19-16-20-14-13(15(25)22(3)17(26)21(14)2)23(16)9-11-6-4-5-7-12(11)18/h4-7,10,13-14,24H,8-9H2,1-3H3,(H,19,20)