1,3-dimethyl-7-[3-(3-methylphenoxy)-2-oxidanyl-propyl]-8-[2-[(4-methylphenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(3-methylphenoxy)-2-oxidanyl-propyl]-8-[2-[(4-methylphenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-[2-(p-tolylmethylene)hydrazino]purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-[2-[(4-methylphenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-[2-[(4-methylphenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-[N'-(4-methylbenzylidene)hydrazino]xanthine Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NNC2=NC3=C(N2CC(COC4=CC=CC(=C4)C)O)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C=NNC2=NC3=C(N2CC(COC4=CC=CC(=C4)C)O)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C25H28N6O4/c1-16-8-10-18(11-9-16)13-26-28-24-27-22-21(23(33)30(4)25(34)29(22)3)31(24)14-19(32)15-35-20-7-5-6-17(2)12-20/h5-13,19,32H,14-15H2,1-4H3,(H,27,28)