7-(4-ethylphenyl)-6-(furan-2-ylmethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(4-ethylphenyl)-6-(furan-2-ylmethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-ethylphenyl)-6-(2-furylmethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-ethylphenyl)-6-(2-furanylmethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-ethylphenyl)-6-(furan-2-ylmethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-ethylphenyl)-6-(2-furfuryl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CC5=CC=CO5)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CC5=CC=CO5)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C22H21N5O3/c1-4-14-7-9-15(10-8-14)17-13-27-18-19(24(2)22(29)25(3)20(18)28)23-21(27)26(17)12-16-6-5-11-30-16/h5-11,13H,4,12H2,1-3H3