8-bromanyl-1,3-dimethyl-9-[2-oxidanylidene-2-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[2-oxidanylidene-2-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[2-oxo-2-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[2-oxo-2-[4-[(1S)-1-phenylethyl]-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[2-oxo-2-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 8-bromo-9-[2-keto-2-[4-[(1S)-1-phenylethyl]piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C21H25BrN6O3 MolecularWeight: 489.3656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

InChI

InChI=1S/C21H25BrN6O3/c1-14(15-7-5-4-6-8-15)26-9-11-27(12-10-26)16(29)13-28-18-17(23-20(28)22)19(30)25(3)21(31)24(18)2/h4-8,14H,9-13H2,1-3H3/t14-/m0/s1