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

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C19H26N6O4/c1-23(2)10-9-20-18-21-16-15(17(27)22-19(28)24(16)3)25(18)11-13(26)12-29-14-7-5-4-6-8-14/h4-8,13,26H,9-12H2,1-3H3,(H,20,21)(H,22,27,28)