8-(2-dimethylaminoethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(2-dimethylaminoethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(2-dimethylaminoethylamino)-3-methyl-xanthine Formula: C16H26N6O4 MolecularWeight: 366.41544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)C[C@H](COCC=C)O

InChI

InChI=1S/C16H26N6O4/c1-5-8-26-10-11(23)9-22-12-13(21(4)16(25)19-14(12)24)18-15(22)17-6-7-20(2)3/h5,11,23H,1,6-10H2,2-4H3,(H,17,18)(H,19,24,25)/t11-/m1/s1