3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-8-(2-isopropylidenehydrazino)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-8-(N'-isopropylidenehydrazino)-3-methyl-xanthine Formula: C18H22N6O4 MolecularWeight: 386.40508

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O4/c1-11(2)21-22-17-19-15-14(16(26)20-18(27)23(15)3)24(17)9-12(25)10-28-13-7-5-4-6-8-13/h4-8,12,25H,9-10H2,1-3H3,(H,19,22)(H,20,26,27)