8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-[(2E)-2-(1-methylpropylidene)hydrazino]purine-2,6-dione CAS Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-butan-2-ylidenehydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-[(N'E)-N'-(1-methylpropylidene)hydrazino]xanthine Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)C

Isomeric SMILES

CC/C(=N/NC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)/C

InChI

InChI=1S/C19H24N6O4/c1-4-12(2)22-23-18-20-16-15(17(27)21-19(28)24(16)3)25(18)10-13(26)11-29-14-8-6-5-7-9-14/h5-9,13,26H,4,10-11H2,1-3H3,(H,20,23)(H,21,27,28)/b22-12+