7-[(3-bromophenyl)methyl]-3-methyl-8-(methylamino)purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(methylamino)purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(methylamino)purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-3-methyl-8-(methylamino)xanthine Formula: C14H14BrN5O2 MolecularWeight: 364.19726

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

Isomeric SMILES

CNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H14BrN5O2/c1-16-13-17-11-10(12(21)18-14(22)19(11)2)20(13)7-8-4-3-5-9(15)6-8/h3-6H,7H2,1-2H3,(H,16,17)(H,18,21,22)