8-(2-hydroxyethylamino)-3-methyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-3-methyl-7-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-7-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-xanthine Formula: C18H23N5O5 MolecularWeight: 389.40572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCO)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@@H](CN2C3=C(N=C2NCCO)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C18H23N5O5/c1-11-4-3-5-13(8-11)28-10-12(25)9-23-14-15(20-17(23)19-6-7-24)22(2)18(27)21-16(14)26/h3-5,8,12,24-25H,6-7,9-10H2,1-2H3,(H,19,20)(H,21,26,27)/t12-/m1/s1