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

Systemtic Name: 3-methyl-7-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C19H25N5O5 MolecularWeight: 403.4323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCCCO)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](CN2C3=C(N=C2NCCCO)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C19H25N5O5/c1-12-6-3-4-7-14(12)29-11-13(26)10-24-15-16(21-18(24)20-8-5-9-25)23(2)19(28)22-17(15)27/h3-4,6-7,13,25-26H,5,8-11H2,1-2H3,(H,20,21)(H,22,27,28)/t13-/m0/s1