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

Systemtic Name: 8-(2-diethylaminoethylamino)-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H30N6O4/c1-4-26(5-2)12-11-22-20-23-18-17(19(29)24-21(30)25(18)3)27(20)13-15(28)14-31-16-9-7-6-8-10-16/h6-10,15,28H,4-5,11-14H2,1-3H3,(H,22,23)(H,24,29,30)