8-[2-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-ethyl-3-methyl-xanthine Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NNC=C3C=CC(=O)C(=C3)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1NNC=C3C=CC(=O)C(=C3)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H20N6O4/c1-4-23-13-14(22(3)17(26)20-15(13)25)19-16(23)21-18-9-10-6-7-11(24)12(8-10)27-5-2/h6-9,18H,4-5H2,1-3H3,(H,19,21)(H,20,25,26)