7-[2-[3-(4-hydroxyphenyl)propylamino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[3-(4-hydroxyphenyl)propylamino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[3-(4-hydroxyphenyl)propylamino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[3-(4-hydroxyphenyl)propylamino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[3-(4-hydroxyphenyl)propylamino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[3-(4-hydroxyphenyl)propylamino]ethyl]-1,3-dimethyl-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)CCNCCCC3=CC=C(C=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCCC3=CC=C(C=C3)O

InChI

InChI=1S/C18H23N5O3/c1-21-16-15(17(25)22(2)18(21)26)23(12-20-16)11-10-19-9-3-4-13-5-7-14(24)8-6-13/h5-8,12,19,24H,3-4,9-11H2,1-2H3