7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-1,3-dimethyl-8-(propylamino)xanthine Formula: C17H20BrN5O2 MolecularWeight: 406.277

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCNC1=NC2=C(N1CC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H20BrN5O2/c1-4-9-19-16-20-14-13(15(24)22(3)17(25)21(14)2)23(16)10-11-5-7-12(18)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,19,20)