1,3-dimethyl-7-[2-[methyl(phenethyl)amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[methyl(phenethyl)amino]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[methyl(phenethyl)amino]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[methyl(phenethyl)amino]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[methyl(phenethyl)amino]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[methyl(phenethyl)amino]ethyl]xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)CCC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-20(10-9-14-7-5-4-6-8-14)11-12-23-13-19-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,13H,9-12H2,1-3H3