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

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[(3-bromophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-(3-bromobenzyl)-3-methyl-xanthine Formula: C20H18BrN5O2 MolecularWeight: 440.29322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H18BrN5O2/c1-25-17-16(18(27)24-20(25)28)26(12-14-8-5-9-15(21)10-14)19(23-17)22-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,22,23)(H,24,27,28)