3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-[(2E)-2-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-[(N'E)-N'-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]xanthine Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)C=CC4=CC=CC=C4

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H26N6O4/c1-17(13-14-18-9-5-3-6-10-18)28-29-24-26-22-21(23(33)27-25(34)30(22)2)31(24)15-19(32)16-35-20-11-7-4-8-12-20/h3-14,19,32H,15-16H2,1-2H3,(H,26,29)(H,27,33,34)/b14-13+,28-17+