7-ethyl-1,3-dimethyl-8-(4-propanoylphenoxy)purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(4-propanoylphenoxy)purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(4-propanoylphenoxy)purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[4-(1-oxopropyl)phenoxy]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(4-propanoylphenoxy)purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(4-propionylphenoxy)xanthine Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H20N4O4/c1-5-13(23)11-7-9-12(10-8-11)26-17-19-15-14(22(17)6-2)16(24)21(4)18(25)20(15)3/h7-10H,5-6H2,1-4H3