7-[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H24N4O3/c1-12(16(25)13-7-9-14(10-8-13)20(2,3)4)24-11-21-17-15(24)18(26)23(6)19(27)22(17)5/h7-12H,1-6H3/t12-/m1/s1