8-(2-hydroxyethylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3/c1-21-15-14(16(25)22(2)18(21)26)23(17(20-15)19-10-12-24)11-6-9-13-7-4-3-5-8-13/h3-5,7-8,24H,6,9-12H2,1-2H3,(H,19,20)