3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-[(N'E)-N'-(1-phenylethylidene)hydrazino]xanthine Formula: C20H26N6O4 MolecularWeight: 414.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NN=C(C)C3=CC=CC=C3)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1N/N=C(\C)/C3=CC=CC=C3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C20H26N6O4/c1-12(2)30-11-15(27)10-26-16-17(25(4)20(29)22-18(16)28)21-19(26)24-23-13(3)14-8-6-5-7-9-14/h5-9,12,15,27H,10-11H2,1-4H3,(H,21,24)(H,22,28,29)/b23-13+