7-ethyl-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(1-phenylethyl)xanthine Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1C(C)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1C(C)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H20N4O2/c1-5-21-13-15(19(3)17(23)20(4)16(13)22)18-14(21)11(2)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3