1,3-diethyl-7-[2-[methyl-(2-oxidanyl-3-phenylmethoxy-propyl)amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-diethyl-7-[2-[methyl-(2-oxidanyl-3-phenylmethoxy-propyl)amino]ethyl]purine-2,6-dione Openeye Name: 7-[2-[(3-benzyloxy-2-hydroxy-propyl)-methyl-amino]ethyl]-1,3-diethyl-purine-2,6-dione CAS Name: 1,3-diethyl-7-[2-[(2-hydroxy-3-phenylmethoxypropyl)-methylamino]ethyl]purine-2,6-dione IUPAC Name: 1,3-diethyl-7-[2-[(2-hydroxy-3-phenylmethoxypropyl)-methylamino]ethyl]purine-2,6-dione Traditional Name: 7-[2-[(3-benzoxy-2-hydroxy-propyl)-methyl-amino]ethyl]-1,3-diethyl-xanthine Formula: C22H31N5O4 MolecularWeight: 429.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C=N2)CCN(C)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C=N2)CCN(C)CC(COCC3=CC=CC=C3)O

InChI

InChI=1S/C22H31N5O4/c1-4-26-20-19(21(29)27(5-2)22(26)30)25(16-23-20)12-11-24(3)13-18(28)15-31-14-17-9-7-6-8-10-17/h6-10,16,18,28H,4-5,11-15H2,1-3H3