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

Systemtic Name: 8-bromanyl-9-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(3-chloro-4-methyl-2-quinolyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(3-chloro-4-methyl-2-quinolinyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(3-chloro-4-methylquinolin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[(3-chloro-4-methyl-2-quinolyl)methyl]-1,3-dimethyl-xanthine Formula: C18H15BrClN5O2 MolecularWeight: 448.701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br)Cl

InChI

InChI=1S/C18H15BrClN5O2/c1-9-10-6-4-5-7-11(10)21-12(13(9)20)8-25-15-14(22-17(25)19)16(26)24(3)18(27)23(15)2/h4-7H,8H2,1-3H3