benzene-1,4-diol; 1,3,7-trimethylpurine-2,6-dione

Systemtic Name: benzene-1,4-diol; 1,3,7-trimethylpurine-2,6-dione Openeye Name: benzene-1,4-diol; 1,3,7-trimethylpurine-2,6-dione CAS Name: benzene-1,4-diol; 1,3,7-trimethylpurine-2,6-dione IUPAC Name: benzene-1,4-diol; 1,3,7-trimethylpurine-2,6-dione Traditional Name: caffeine; hydroquinone Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC(=CC=C1O)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC(=CC=C1O)O

InChI

InChI=1S/C8H10N4O2.C6H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-5-1-2-6(8)4-3-5/h4H,1-3H3;1-4,7-8H