3-methyl-8-(3-oxidanylpropylamino)-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-oxidanylpropylamino)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3/c1-22-15-14(16(25)21-18(22)26)23(17(20-15)19-10-6-12-24)11-5-9-13-7-3-2-4-8-13/h2-4,7-8,24H,5-6,9-12H2,1H3,(H,19,20)(H,21,25,26)