8-[(4-ethylphenyl)amino]-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(4-ethylphenyl)amino]-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(4-ethylanilino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(4-ethylanilino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(4-ethylanilino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(4-ethylanilino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC3=C(N2CC(COC4=CC=C(C=C4)OC)O)C(=O)NC(=O)N3C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC3=C(N2CC(COC4=CC=C(C=C4)OC)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C24H27N5O5/c1-4-15-5-7-16(8-6-15)25-23-26-21-20(22(31)27-24(32)28(21)2)29(23)13-17(30)14-34-19-11-9-18(33-3)10-12-19/h5-12,17,30H,4,13-14H2,1-3H3,(H,25,26)(H,27,31,32)