8-chloranyl-7-[1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[1-(4-ethoxyphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[1-(4-ethoxyphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2-keto-1-methyl-2-p-phenetyl-ethyl)-1,3-dimethyl-xanthine Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)N2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(C)N2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H19ClN4O4/c1-5-27-12-8-6-11(7-9-12)14(24)10(2)23-13-15(20-17(23)19)21(3)18(26)22(4)16(13)25/h6-10H,5H2,1-4H3