8-chloranyl-9-[1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-9-[1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-9-[2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-9-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-9-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-9-[2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C17H17ClN4O4 MolecularWeight: 376.79428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)N2C3=C(C(=O)N(C(=O)N3C)C)N=C2Cl

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC)N2C3=C(C(=O)N(C(=O)N3C)C)N=C2Cl

InChI

InChI=1S/C17H17ClN4O4/c1-9(13(23)10-5-7-11(26-4)8-6-10)22-14-12(19-16(22)18)15(24)21(3)17(25)20(14)2/h5-9H,1-4H3