8-bromanyl-9-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C18H16BrClN6O2 MolecularWeight: 463.71564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)Cl)C4=CC=CC=C4

InChI

InChI=1S/C18H16BrClN6O2/c1-10-12(14(20)26(22-10)11-7-5-4-6-8-11)9-25-15-13(21-17(25)19)16(27)24(3)18(28)23(15)2/h4-8H,9H2,1-3H3