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

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C19H24N6O4 MolecularWeight: 400.43166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NN=CC3=CC=CC=C3)N(C(=O)NC2=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O4/c1-12(2)29-11-14(26)10-25-15-16(24(3)19(28)22-17(15)27)21-18(25)23-20-9-13-7-5-4-6-8-13/h4-9,12,14,26H,10-11H2,1-3H3,(H,21,23)(H,22,27,28)/b20-9+