8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-propyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-propyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-propylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-propylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-propyl-xanthine Formula: C16H16BrClN4O2 MolecularWeight: 411.68084

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Br)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Br)N(C1=O)C

InChI

InChI=1S/C16H16BrClN4O2/c1-3-8-21-14(23)12-13(20(2)16(21)24)19-15(17)22(12)9-10-6-4-5-7-11(10)18/h4-7H,3,8-9H2,1-2H3