9-[(2-chloranylquinolin-3-yl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[(2-chloranylquinolin-3-yl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[(2-chloro-3-quinolyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[(2-chloro-3-quinolinyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[(2-chloroquinolin-3-yl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-[(2-chloro-3-quinolyl)methyl]-1,3-dimethyl-8-nitro-xanthine Formula: C17H13ClN6O4 MolecularWeight: 400.77592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC4=CC=CC=C4N=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC4=CC=CC=C4N=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN6O4/c1-21-14-12(15(25)22(2)17(21)26)20-16(24(27)28)23(14)8-10-7-9-5-3-4-6-11(9)19-13(10)18/h3-7H,8H2,1-2H3