7-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]-1,3-dimethyl-xanthine Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)Cl)C

InChI

InChI=1S/C19H18ClN5O2/c1-10-5-6-12-7-13(16(20)22-14(12)11(10)2)8-25-9-21-17-15(25)18(26)24(4)19(27)23(17)3/h5-7,9H,8H2,1-4H3