8-(2-diethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(2-diethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C23H34N6O4 MolecularWeight: 458.55386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCN(CC)CC)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCN(CC)CC)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C23H34N6O4/c1-5-16-8-10-18(11-9-16)33-15-17(30)14-29-19-20(27(4)23(32)26-21(19)31)25-22(29)24-12-13-28(6-2)7-3/h8-11,17,30H,5-7,12-15H2,1-4H3,(H,24,25)(H,26,31,32)