8-[(2E)-2-[(8-ethoxyquinolin-2-yl)methylidene]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(8-ethoxyquinolin-2-yl)methylidene]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(8-ethoxy-2-quinolyl)methylene]hydrazino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(8-ethoxy-2-quinolinyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(8-ethoxyquinolin-2-yl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[(8-ethoxy-2-quinolyl)methylene]hydrazino]-1,3,7-trimethyl-xanthine Formula: C20H21N7O3 MolecularWeight: 407.42584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1N=C(C=C2)C=NNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCOC1=CC=CC2=C1N=C(C=C2)/C=N/NC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H21N7O3/c1-5-30-14-8-6-7-12-9-10-13(22-15(12)14)11-21-24-19-23-17-16(25(19)2)18(28)27(4)20(29)26(17)3/h6-11H,5H2,1-4H3,(H,23,24)/b21-11+